compound 5d [PMID: 7966163]

Ligand id: 3082

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 24
Topological polar surface area 232.65
Molecular weight 722.31
XLogP 7.23
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]-6-{[(decyloxy)carbonyl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Database Links
ChEMBL Ligand CHEMBL441322
GtoPdb PubChem SID 135649856
PubChem CID 44352892
Search Google for chemical match using the InChIKey PDGYNYIQKDRVIT-JCIOCXPTSA-N
Search Google for chemicals with the same backbone PDGYNYIQKDRVIT
Search UniChem for chemical match using the InChIKey PDGYNYIQKDRVIT-JCIOCXPTSA-N
Search UniChem for chemicals with the same backbone PDGYNYIQKDRVIT