ChemSpider 2D Image | gordonoside K | C47H74O19

gordonoside K

  • Molecular FormulaC47H74O19
  • Average mass943.079 Da
  • Monoisotopic mass942.482422 Da
  • ChemSpider ID26341101

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

1293918-33-8 [RN]
1-O-[(3β,16α)-3-{[3-O-(α-L-Arabinopyranosyl)-β-D-glucopyranuronosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β,16α)-3-{[3-O-(α-L-Arabinopyranosyl)-β-D-glucopyranuronosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β,16α)-3-{[3-O-(α-L-Arabinopyranosyl)-β-D-glucopyranuronosyl]oxy}-16-hydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
gordonoside K
β-D-Glucopyranose, 1-O-[(3β,16α)-3-[(3-O-α-L-arabinopyranosyl-β-D-glucopyranuronosyl)oxy]-16-hydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      A triterpenoid saponin with 3,16-dihydroxyolean-12-en-28-oic acid as the aglycone. Isolated from the stems of <ital>Gordonia chrysandra</ital>, it exhibits a strong inhibitory effect on nitric oxide production. ChEBI CHEBI:67499
      A triterpenoid saponin with 3,16-dihydroxyolean-12-en-28-oic acid as the aglycone. Isolated from the stems of Gordonia chrysandra, it exhibits a strong inhibitory effect on nitric oxide ; production. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67499
      A triterpenoid saponin with 3,16-dihydroxyolean-12-en-28-oic acid as the aglycone. Isolated from the stems of Gordonia chrysandra, it exhibits a strong inhibitory effect on nitric oxide production. ChEBI CHEBI:67499

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1023.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 169.3±6.0 kJ/mol
Flash Point: 292.6±27.8 °C
Index of Refraction: 1.631
Molar Refractivity: 230.2±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 5.16
ACD/KOC (pH 5.5): 19.09
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.97
Polar Surface Area: 312 Å2
Polarizability: 91.3±0.5 10-24cm3
Surface Tension: 77.8±5.0 dyne/cm
Molar Volume: 646.3±5.0 cm3

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