BioPhytMol: A database of Phytomolecules against Mycobacteria

| Home |

Simple Search

Query Builder

Structure Search

Browse |

Similarity

One to One

One to Many

Data Visualization |

Submission |

Page - 1 of 1 Record - 1 of 17 [TOP]

Compound ID	1530
Compound Structure
Plant Source	Convolvulus arvensis L. Common Name:Deers Foot (English), Bhadrabalaa, Hiranpadi (Sanskrit)
Source Family	Convolvulaceae
Origin	India
Plant Part Used	Leaf
Extract	Water
Target Bacteria	Mycobacterium tuberculosis
Assay / Test Done	Broth Dilution Assay
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml	1:40 dilution
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Fever, purgative, cathartic, Random screening
PubMed ID [Source Literature]	17276637
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Gautam R, Saklani A, Jachak SM.Indian medicinal plants as a source of antimycobacterial agents.J Ethnopharmacol. 2007 Mar 21;110(2):200-34 2) Kirtikar, K.R., Basu, B.D., 1935. Indian Medicinal Plants, vols. 14. Lalit Mohan Basu, Allahabad, India
Curator

Record - 2 of 17 [TOP]

Compound ID	1531
Compound Structure
Plant Source	Convolvulus arvensis L. Common Name:Deers Foot (English), Bhadrabalaa, Hiranpadi (Sanskrit)
Source Family	Convolvulaceae
Origin	India
Plant Part Used	Mother tinture
Extract	Ethanol (95 %)
Target Bacteria	Mycobacterium tuberculosis H37Rv (human)
Assay / Test Done	Tube Dilution Test
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml
Activity (In terms of dilution)	1:80 dilution
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Fever, purgative, cathartic, random screening
PubMed ID [Source Literature]	2118130
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Grange JM, Davey RW.Detection of antituberculous activity in plant extracts.J Appl Bacteriol. 1990 Jun;68(6):587-91 2) Kirtikar, K.R., Basu, B.D., 1935. Indian Medicinal Plants, vols. 1–4. Lalit Mohan Basu, Allahabad, India
Curator

Record - 3 of 17 [TOP]

Compound ID

1931

Compound Structure

Plant Source

Ipomoea leptophylla Common Name:Bush Morning Glory, Manroot

Source Family

Convolvulaceae

Origin

North America

Plant Part Used

Leaf

Extract

Soluble extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

BACTEC 460 radiometric system

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

NR (inactive)

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Operculinic acid

PubChem ID

44584575

Ethnomedicinal Information

Treatment for stomach troubles, tuberculosis

PubMed ID [Source Literature]

14640518

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Fatty acid, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

1018.520

Molecular Formula

C₄₆H₈₂O₂₄

SMILES

O([C@@H]1O[C@H]([C@H](O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C)[C@@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C)[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[C@H]1C)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CCCCCCCCCC(=O)O)CCCCC)C

XLogP

1.041

PSA

372.360

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Barnes CC, Smalley MK, Manfredi KP, Kindscher K, Loring H, Sheeley DM.Characterization of an anti-tuberculosis resin glycoside from the prairie medicinal plant Ipomoea leptophylla.J Nat Prod. 2003 Nov;66(11):1457-62

Curator

Record - 4 of 17 [TOP]

Compound ID

1932

Compound Structure

Plant Source

Ipomoea leptophylla Common Name:Bush Morning Glory, Manroot

Source Family

Convolvulaceae

Origin

North America

Plant Part Used

Leaf

Extract

Soluble extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

BACTEC 460 radiometric system

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Trans - Cinnamic Acid

PubChem ID

444539

Ethnomedicinal Information

Treatment for stomach troubles, tuberculosis

PubMed ID [Source Literature]

14640518

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Alkene, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

148.052

Molecular Formula

C₉H₈O₂

SMILES

OC(=O)/C=C/c1ccccc1

XLogP

3.904

PSA

37.300

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 5 of 17 [TOP]

Compound ID

1933

Compound Structure

Plant Source

Ipomoea leptophylla Common Name:Bush Morning Glory, Manroot

Source Family

Convolvulaceae

Origin

North America

Plant Part Used

Leaf

Extract

Soluble extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

BACTEC 460 radiometric system

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Propanoic acid

PubChem ID

1032

Ethnomedicinal Information

Treatment for stomach troubles, tuberculosis

PubMed ID [Source Literature]

14640518

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

74.037

Molecular Formula

C₃H₆O₂

SMILES

OC(=O)CC

XLogP

0.173

PSA

37.300

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 6 of 17 [TOP]

Compound ID

1934

Compound Structure

Plant Source

Ipomoea leptophylla Common Name:Bush Morning Glory, Manroot

Source Family

Convolvulaceae

Origin

North America

Plant Part Used

Leaf

Extract

Soluble extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

BACTEC 460 radiometric system

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Lauric acid

PubChem ID

3893

Ethnomedicinal Information

Treatment for stomach troubles, tuberculosis

PubMed ID [Source Literature]

14640518

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Fatty acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

200.178

Molecular Formula

C₁₂H₂₄O₂

SMILES

OC(=O)CCCCCCCCCCC

XLogP

5.294

PSA

37.300

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 7 of 17 [TOP]

Compound ID	1935
Compound Structure
Plant Source	Ipomoea muricatum Don syn. Calonyction muricatum Don Common Name:
Source Family	Convolvulaceae
Origin	India
Plant Part Used	Seed
Extract	Alkaloid fraction of chloroform extract
Target Bacteria	Mycobacterium tuberculosis
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Cathartic, purgative
PubMed ID [Source Literature]	17276637
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Gautam R, Saklani A, Jachak SM.Indian medicinal plants as a source of antimycobacterial agents.J Ethnopharmacol. 2007 Mar 21;110(2):200-34
Curator

Record - 8 of 17 [TOP]

Compound ID	1936
Compound Structure
Plant Source	Ipomoea purga Common Name:Jalap
Source Family	Convolvulaceae
Origin	Mexico
Plant Part Used
Extract	Ethanol
Target Bacteria	Mycobacterium tuberculosis
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]	100 %
Activity [MIC] µg/ml	1:160 dilution
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Unsuitable due to purgative property
PubMed ID [Source Literature]	2118130
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Grange JM, Davey RW.Detection of antituberculous activity in plant extracts.J Appl Bacteriol. 1990 Jun;68(6):587-91 2) http://plants.usda.gov/java/profile?symbol=IPPU6
Curator

Record - 9 of 17 [TOP]

Compound ID	1937
Compound Structure
Plant Source	Ipomoea purga Common Name:Jalap
Source Family	Convolvulaceae
Origin	Mexico
Plant Part Used
Extract	Ethanol
Target Bacteria	Mycobacterium tuberculosis
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]	Partial
Activity [MIC] µg/ml
Activity (In terms of dilution)	1:320 dilution
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Unsuitable due to purgative property
PubMed ID [Source Literature]	2118130
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Grange JM, Davey RW.Detection of antituberculous activity in plant extracts.J Appl Bacteriol. 1990 Jun;68(6):587-91 2) http://plants.usda.gov/java/profile?symbol=IPPU6
Curator

Record - 10 of 17 [TOP]

Compound ID	1939
Compound Structure
Plant Source	Iseia luxurians (Moricand) O’Donell Common Name:
Source Family	Convolvulaceae
Origin	Peru
Plant Part Used	Whole plant
Extract	Dichloromethane
Target Bacteria	Mycobacterium tuberculosis (ATCC 27294)
Assay / Test Done	BACTEC 460 (Becton Dickinson Diagnostic Instrument Systems, Sparks MD) Radiometric Assay
Positive Control Used (conc.)	Rifampin (2 µg/ml), Ethambutol (7.5 µg/ml)
Inhibition [%]	70 %
Activity [MIC] µg/ml	50 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	13678239
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Graham JG, Pendland SL, Prause JL, Danzinger LH, Schunke Vigo J, Cabieses F, Farnsworth NR.Antimycobacterial evaluation of Peruvian plants.Phytomedicine. 2003;10(6-7):528-35
Curator

Record - 11 of 17 [TOP]

Compound ID	3470
Compound Structure	N/A
Plant Source	Ipomoea muricatum Don syn. Calonyction muricatum Don Common Name:
Source Family	Convolvulaceae
Origin	India
Plant Part Used	Seed
Extract	Chloroform
Target Bacteria	Mycobacterium tuberculosis
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified	Alkaloidal fractions (Mixture)
PubChem ID	NR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]	Mixture
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Reference(s)	1) Guevara, Beatrice Q, Solevilla, Rosalinda C, Ochoa, Yolanda B, Santiago, Asuncion T, Chua, Jose A.Preliminary phytochemical, microbiological and pharmacological studies of Calonyction muricatum Linn (Convolvulaceae).1978, Acta Manilana, Vol.(Issue) 17(27), Pages 20-39
Curator

Record - 12 of 17 [TOP]

Compound ID

3953

Compound Structure

Plant Source

Ipomoea tyrianthina Common Name:NR

Source Family

Convolvulaceae

Origin

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Tyrianthin A

PubChem ID

56674844

Ethnomedicinal Information

PubMed ID [Source Literature]

19596196

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Fattyacid, Tyrianthinic acids, Glycolipid, Glycoside, Acylated

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

2093.117

Molecular Formula

C₁₀₀H₁₇₂O₄₅

SMILES

O1C2C(OC3C(O)C(O)C(OC3OC(CCCCCCCCCC(=O)OC3C(OC4OC(C(OC(=O)CCCCCCCCCC(OC5OC(C(O)C(O)C5OC5OC(C(O)C(O)C5OC5OC(C(OC6OC(C(OC(=O)C(CC)C)C(O)C6O)C)C(O)C5OC(=O)C(C(O)C)C)C)CO)C)CCCCC)C(O)C4O)C)C(OC1C3OC(=O)C(C(O)C)C)C)CCCCC)C)OC(C(O)C2O)COC(=O)C(C(O)C)C

XLogP

6.942

PSA

649.390

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) León-Rivera I, Mirón-López G, Estrada-Soto S, Aguirre-Crespo F, Gutiérrez Mdel C, Molina-Salinas GM, Hurtado G, Navarrete-Vázquez G, Montiel E.Glycolipid ester-type heterodimers from Ipomoea tyrianthina and their pharmacological activity.Bioorg Med Chem Lett. 2009 Aug 15;19(16):4652-6. Epub 2009 Jun 25

Curator

KeyaMukherjee, vsheeba

Record - 13 of 17 [TOP]

Compound ID

3954

Compound Structure

Plant Source

Ipomoea tyrianthina Common Name:NR

Source Family

Convolvulaceae

Origin

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Tyrianthin B

PubChem ID

56664530

Ethnomedicinal Information

PubMed ID [Source Literature]

19596196

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Fattyacid, Tyrianthinic acids, Glycolipid, Glycoside, Acylated

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

1979.049

Molecular Formula

C₉₄H₁₆₂O₄₃

SMILES

O1C2C(OC3C(O)C(O)C(OC3OC(CCCCCCCCCC(=O)OC3C(OC4OC(C(OC(=O)CCCCCCCCCC(OC5OC(C(O)C(O)C5OC5OC(C(O)C(O)C5OC5OC(C(OC6OC(C(O)C(O)C6O)C)C(O)C5OC(=O)CCC)C)CO)C)CCCCC)C(O)C4O)C)C(OC1C3OC(=O)C(C(O)C)C)C)CCCCC)C)OC(C(O)C2O)COC(=O)C(C(O)C)C

XLogP

6.464

PSA

623.090

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

KeyaMukherjee, vsheeba

Record - 14 of 17 [TOP]

Compound ID

4116

Compound Structure

Plant Source

Ipomoea tyrianthina Common Name:

Source Family

Convolvulaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv ATCC 27294

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC238

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Fattyacid, Tyrianthinic acids, Glycolipid, Glycoside, Acylated

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

910.477

Molecular Formula

C₄₃H₇₄O₂₀

SMILES

O[C@H]1[C@H](O)[C@H]2O[C@H]3[C@H](O[C@H]4[C@H](OC(=O)CC)[C@H](OC(=O)CCCCCCCCCC(O[C@@H]2O[C@@H]1C)CCCCC)[C@@H](O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O1)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3

XLogP

3.259

PSA

288.280

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660

2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

Record - 15 of 17 [TOP]

Compound ID

4117

Compound Structure

Plant Source

Ipomoea tyrianthina Common Name:

Source Family

Convolvulaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv ATCC 27295

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC239

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Fattyacid, Tyrianthinic acids, Glycolipid, Glycoside, Acylated

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

938.509

Molecular Formula

C₄₅H₇₈O₂₀

SMILES

O[C@H]1[C@H](O)[C@H]2O[C@H]3[C@H](O[C@H]4[C@H](OC(=O)C(CC)C)[C@H](OC(=O)CCCCCCCCCC(O[C@@H]2O[C@@H]1C)CCCCC)[C@@H](O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O1)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3

XLogP

4.121

PSA

288.280

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 16 of 17 [TOP]

Compound ID

4118

Compound Structure

Plant Source

Ipomoea tyrianthina Common Name:

Source Family

Convolvulaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv ATCC 27296

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC240

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Fatty acid, Acyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

1072.567

Molecular Formula

C₅₀H₈₈O₂₄

SMILES

O[C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](OC(=O)C(CC)C)[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC(=O)C(C)C(O)C)[C@@H](C)O4)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](O[C@@](CCCCC)(O)CCCCCCCCCC(=O)O)O[C@@H]1C

XLogP

2.908

PSA

366.040

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 17 of 17 [TOP]

Compound ID

4119

Compound Structure

Plant Source

Ipomoea tyrianthina Common Name:

Source Family

Convolvulaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv ATCC 27297

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC241

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Fatty acid, Acyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

1054.556

Molecular Formula

C₅₀H₈₆O₂₃

SMILES

O[C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](OC(=O)C(CC)C)[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC(=O)/C(=C/C)/C)[C@@H](C)O4)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](O[C@@](CCCCC)(O)CCCCCCCCCC(=O)O)O[C@@H]1C

XLogP

4.031

PSA

345.810

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Developed by: CSIR- OSDD Unit, Delhi, India and Hosted by: Bioinformatics Centre, Institute of Microbial Technology, Sec-39A, Chandigarh, India.
The website has been tested on the latest version of Google Chrome (34.0.1847.137 m) and Mozilla Firefox (29.0.1)