compound 5d [PMID: 7966163]

Ligand id: 3091

Name: compound 5d [PMID: 7966163]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 5
Rotatable bonds 28
Topological polar surface area 241.88
Molecular weight 828.36
XLogP 9.1
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-4,7-dihydroxy-6-({[(11-phenoxyundecyl)oxy]carbonyl}oxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Database Links
ChEMBL Ligand CHEMBL335394
PubChem CID 44352756
Search Google for chemical match using the InChIKey JJAXJXFYWFJTKF-BWBORTOCSA-N
Search Google for chemicals with the same backbone JJAXJXFYWFJTKF
Search UniChem for chemical match using the InChIKey JJAXJXFYWFJTKF-BWBORTOCSA-N
Search UniChem for chemicals with the same backbone JJAXJXFYWFJTKF