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34096-83-8

34096-83-8 structural image
Product Name: GLYCYRRHETIC ACID 3-O-GLUCURONIDE
Formula: C36H54O10
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COMPUTED DESCRIPTORS

Molecular Weight 646.8 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 4
Exact Mass 646.37169792 g/mol
Monoisotopic Mass 646.37169792 g/mol
Topological Polar Surface Area 171 Ų
Heavy Atom Count 46
Formal Charge 0
Complexity 1340
Isotope Atom Count 0
Defined Atom Stereocenter Count 14
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Glycyrrhetic acid 3-O-glucuronide is a triterpenoid saponin that is the 3-O-beta-glucuronide of glycyrrhetic acid. It is a metabolite of glycyrrhizin contained in licorice and potentially a causative agent in the pathogenesis of pseudoaldosteronism. It has a role as an anti-allergic agent, a sweetening agent, an EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor, a human xenobiotic metabolite and a plant metabolite. It is a monosaccharide derivative, a beta-D-glucosiduronic acid, a triterpenoid saponin, a pentacyclic triterpenoid, an oxo dicarboxylic acid and an enone. It is functionally related to a glycyrrhetinic acid.