zaragozic acid C

Ligand id: 3073

Name: zaragozic acid C

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 22
Topological polar surface area 223.42
Molecular weight 754.32
XLogP 9.78
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(1S,3S,4S,5R,6R,7R)-1-[(4R,5R)-4-(acetyloxy)-5-benzylhexyl]-4,7-dihydroxy-6-{[(4E,6R)-6-methyl-9-phenylnon-4-enoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Database Links
CAS Registry No. 146389-62-0 (source: Scifinder)
ChEBI CHEBI:83934
ChEMBL Ligand CHEMBL505374
PubChem CID 11814656
Search Google for chemical match using the InChIKey KQMNJFMTGHRJHM-ZFSXNWTMSA-N
Search Google for chemicals with the same backbone KQMNJFMTGHRJHM
Search UniChem for chemical match using the InChIKey KQMNJFMTGHRJHM-ZFSXNWTMSA-N
Search UniChem for chemicals with the same backbone KQMNJFMTGHRJHM