BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1231
NameAsimilobine-2-O-glucoside
Pubchem ID158546
KEGG IDN/A
SourceStephania pierrei
TypeNatural
FunctionAntimalarial
Drug Like PropertiesYes
Molecular Weight429.46
Exact mass429.178752
Molecular formulaC23H27NO7
XlogP0.8
Topological Polar Surface Area121
H-Bond Donor5
H-Bond Acceptor8
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3)OC5C(C(C(C(O5)CO)O)O)O
Isomeric SMILECOC1=C(C=C2CCN[C@H]3C2=C1C4=CC=CC=C4C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
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