zaragozic acid B

Ligand id: 6061

Name: zaragozic acid B

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 6
Rotatable bonds 23
Topological polar surface area 217.35
Molecular weight 730.36
XLogP 8.78
No. Lipinski's rules broken 4

Molecular properties generated using the CDK

Compound class Natural product or derivative
(1R,2S,3S,5S,6R,7R)-2,6-dihydroxy-5-[(E)-4-hydroxy-3,5-dimethyl-8-phenyloct-7-enyl]-7-[(6E,12E)-tetradeca-6,12-dienoyl]oxy-4,8-dioxabicyclo[3.2.1]octane-1,2,3-tricarboxylic acid
Database Links
CAS Registry No. 146389-61-9 (source: Scifinder)
ChEMBL Ligand CHEMBL504845
PubChem CID 9940176
Search Google for chemical match using the InChIKey VFZAKIFLDMCTJV-NZHUAJKLSA-N
Search Google for chemicals with the same backbone VFZAKIFLDMCTJV