ChemSpider 2D Image | hederagenin 28-O-beta-D-glucopyranoside | C36H58O9

hederagenin 28-O-β-D-glucopyranoside

  • Molecular FormulaC36H58O9
  • Average mass634.840 Da
  • Monoisotopic mass634.408081 Da
  • ChemSpider ID19981565

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

1-O-[(3β)-3,23-Dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β)-3,23-Dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β)-3,23-Dihydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
hederagenin 28-O-β-D-glucopyranoside
Olean-12-en-28-oic acid, 3,23-dihydroxy-, β-D-glucopyranosyl ester, (3β,4β)-
β-D-Glucopyranose, 1-O-[(3β)-3,23-dihydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
1-O-[3β,23-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose
28-Glc-hederagenin
53931-25-2 [RN]
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  • Miscellaneous

    • Chemical Class:

      A triterpenoid saponin that is the carboxylic ester obtained by the formal condensation of the carboxy group of hederagenin with <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranose. It has been i solated from <ital>Juglans sinensis</ital>. ChEBI CHEBI:67947
      A triterpenoid saponin that is the carboxylic ester obtained by the formal condensation of the carboxy group of hederagenin with beta-D-glucopyranose. It has been i; solated from Juglans sinensis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67947
      A triterpenoid saponin that is the carboxylic ester obtained by the formal condensation of the carboxy group of hederagenin with beta-D-glucopyranose. It has been isolated from Juglans sinensis. ChEBI CHEBI:67947

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

Density: 1.3±0.1 g/cm3
Boiling Point: 729.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.6±6.0 kJ/mol
Flash Point: 220.2±26.4 °C
Index of Refraction: 1.596
Molar Refractivity: 168.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13209.63
ACD/KOC (pH 5.5): 30997.13
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13209.46
ACD/KOC (pH 7.4): 30996.73
Polar Surface Area: 157 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 496.2±5.0 cm3

Click to predict properties on the Chemicalize site


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