glycyrrhizin

Ligand Id: 4688
Ligand name glycyrrhizin

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 8
Rotatable bonds 7
Topological polar surface area 267.04
Molecular weight 822.4
XLogP 4.41
No. Lipinski's rules broken 2

Molecular properties generated using the CDK


Classification
Compound class Natural product or derivative
IUPAC Name
(2S,3S,4S,5R,6S)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid
Database Links
CAS Registry No. 1405-86-3 (source: Scifinder)
ChEBI CHEBI:15939
ChEMBL Ligand CHEMBL441687
PubChem CID 14982
Search Google for chemical match using the InChIKey LPLVUJXQOOQHMX-QWBHMCJMSA-N
Search Google for chemicals with the same backbone LPLVUJXQOOQHMX
Wikipedia Glycyrrhizin