Glycyrrhizic acid
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Identity
Glycyrrhizic acid
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
PubChem CID: 14982
Glycyrrhizinic acid is a triterpenoid saponin that is the glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid. It has a role as an EC 3.4.21.5 (thrombin) inhibitor and a plant metabolite. It is a glucosiduronic acid, a pentacyclic triterpenoid, a tricarboxylic acid, an enone and a triterpenoid saponin. It is a conjugate acid of a glycyrrhizinate(3-).
2D Structure
Properties
C42H62O16
Molecular Formula
822.90
Molecular Weight
g/mol
822.4038
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
267
TPSA
May have limited oral absorption
8
H-Bond Donors
16
H-Bond Acceptors
1730
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Glycyrrhizic acidglycyrrhizin1405-86-3GlycyronGlycyrrhizinic acidpotenlinibeta-GlycyrrhizinGlycyrrhetinic acid glycosideGlizigen18beta-Glycyrrhizic acidglycyrrhizate18-beta-Glycyrrhizic acidGlycyrrizinRizinsan K2 A2 (free acid)HSDB 496
Data from PubChem (NCBI)
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Trials and conditions connected to Glycyrrhizic acid
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