zaragozic acid A

Ligand id: 3057

Name: zaragozic acid A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 19
Topological polar surface area 223.42
Molecular weight 690.29
XLogP 6.29
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-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-6-{[(2E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Synonyms
L 694599
L-694599
squalestatin
squalestatin 1
Database Links
CAS Registry No. 142561-96-4 (source: Scifinder)
ChEBI CHEBI:75170
ChEMBL Ligand CHEMBL280978
PubChem CID 6438355
RCSB PDB Ligand ZGA
Search Google for chemical match using the InChIKey DFKDOZMCHOGOBR-NCSQYGPNSA-N
Search Google for chemicals with the same backbone DFKDOZMCHOGOBR
Wikipedia Zaragozic_acid