ginkgolide B

Ligand Id: 1862
Ligand name ginkgolide B
Abbreviated name GKB

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 148.82
Molecular weight 424.14
XLogP 0.15
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Natural product or derivative
IUPAC Name
(1R,3R,8S,10R,13S,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione
Synonyms
BN 52021
Database Links
CAS Registry No. 15291-77-7 (source: Scifinder)
PubChem CID 441294
Search Google for chemical match using the InChIKey SQOJOAFXDQDRGF-OOHPMXMZSA-N
Search Google for chemicals with the same backbone SQOJOAFXDQDRGF
Comments
From the plant Ginkgo biloba. There is some ambiguity on online resources as to the exact stereochemistry of ginkgolide B. Other representations on PubChem include CID 11973122 and CID 6917929.