Compound	3-O-alpha-L-Rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl hederagenin 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester
NPACT-Id	NPACT00145
IUPAC	-
Synonyms	-
PubChem Id	-
Class	Saponin
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	JDKLFNQJKCLOAM-OKMVNUTJSA-N
InChi	1S/C58H94O26/c1-23-32(62)35(65)38(68)47(77-23)81-43-28(20-59)78-48(41(71)37(43)67)82-49-39(69)36(66)40(70)50(83-49)84-52(74)58-17-15-53(3,4)19-26(58)25-9-10-30-54(5)13-12-31(55(6,22-60)29(54)11-14-57(30,8)56(25,7)16-18-58)79-51-45(34(64)27(61)21-75-51)80-
SMILES	C1C[C@@H]([C@@]([C@H]2[C@]1([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@](CC2)(C(=O)O[C@@H]2O[C@H]([C@H]([C@H]([C@@H]2O)O)O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)C)CO)CCC(C1)(C)C)C)C)C)(C)CO)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O)C)O)O)O
SMART	[#6][C@H]1O[C@@H](O)[C@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3([#6])[C@@H](CC[C@]4([#6])[C@H]3CC=C3[C@H]5C[C@@]([#6])([#6])CC[C@@]5(CC[C@@]43[#6])C(=O)O[C@@H]3O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H]([#6])[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H](O)[C@@H]3O)[C@]2([#6])CO)[C@H]1O
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

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Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

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