ChemSpider 2D Image | Glycyrrhetic acid 3-o-glucuronide | C36H54O10

Glycyrrhetic acid 3-o-glucuronide

  • Molecular FormulaC36H54O10
  • Average mass646.808 Da
  • Monoisotopic mass646.371704 Da
  • ChemSpider ID142103

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β)-30-Hydroxy-11,30-dioxoolean-12-en-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β)-30-Hydroxy-11,30-dioxoolean-12-en-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
34096-83-8 [RN]
Acide β-D-glucopyranosiduronique de (3β)-30-hydroxy-11,30-dioxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Glycyrrhetic Acid 3-O-b-D-Glucuronide
Glycyrrhetic acid 3-o-glucuronide
Olean-12-en-30-oic acid, 3-(β-D-glucopyranuronosyloxy)-11-oxo-, (3β)- [ACD/Index Name]
(2S,3S,4S,5R,6R)-6-{[(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}-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID
(3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl β-D-glucopyranosiduronic acid
1-(18?-glycyrrhet-3-yl)-?-D-glucopyranuronic acid
More...
  • Miscellaneous

    • Chemical Class:

      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 pseudoal dosteronism. ChEBI CHEBI:189708

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 785.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.2±6.0 kJ/mol
Flash Point: 240.7±26.4 °C
Index of Refraction: 1.596
Molar Refractivity: 167.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.56
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 492.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement