bisandrographolide

Ligand Id: 2502
Ligand name bisandrographolide

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 86.99
Molecular weight 350.21
XLogP 2.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Natural product or derivative
IUPAC Name
(3E,4S)-3-[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]ethylidene]-4-hydroxyoxolan-2-one
Database Links
PubChem CID 5318517
Search Google for chemical match using the InChIKey BOJKULTULYSRAS-OTESTREVSA-N
Search Google for chemicals with the same backbone BOJKULTULYSRAS
ZINC ZINC03881797