tannic acid

Ligand id: 4319

Name: tannic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 25
Rotatable bonds 31
Topological polar surface area 777.98
Molecular weight 1700.17
XLogP 2.66
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(2R,3R,4S,5R,6S)-4,5,6-tris({3,4-dihydroxy-5-[(3,4,5-trihydroxyphenyl)carbonyloxy]phenyl}carbonyloxy)-2-[({3,4-dihydroxy-5-[(3,4,5-trihydroxyphenyl)carbonyloxy]phenyl}carbonyloxy)methyl]oxan-3-yl 3,4-dihydroxy-5-[(3,4,5-trihydroxyphenyl)carbonyloxy]benzoate
Database Links
CAS Registry No. 1401-55-4 (source: Scifinder)
ChEBI CHEBI:75211
ChEMBL Ligand CHEMBL506247
PubChem CID 16129778
Search Google for chemical match using the InChIKey LRBQNJMCXXYXIU-PPKXGCFTSA-N
Search Google for chemicals with the same backbone LRBQNJMCXXYXIU
Wikipedia Tannic_acid