bisandrographolide

Ligand Id: 2502
Ligand name bisandrographolide

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 133.52
Molecular weight 664.4
XLogP 7.27
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Natural product or derivative
IUPAC Name
3-[(E)-2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-5-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-(2-oxo-5H-furan-3-yl)ethyl]-5H-furan-2-one
Database Links
PubChem CID 12000062
Search Google for chemical match using the InChIKey WQHWOZANSOUSAY-LZBAHHAZSA-N
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