ChemSpider 2D Image | 1-O-[(3beta)-3-(alpha-L-Arabinopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-28-yl]-6-O-D-glucopyranosyl-beta-D-glucopyranose | C47H76O18

1-O-[(3β)-3-(α-L-Arabinopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-28-yl]-6-O-D-glucopyranosyl-β-D-glucopyranose

  • Molecular FormulaC47H76O18
  • Average mass929.096 Da
  • Monoisotopic mass928.503174 Da
  • ChemSpider ID28420757

  • defined stereocentres - 22 of 23 defined stereocentres

More details:

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

1-O-[(3β)-3-(α-L-Arabinopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-28-yl]-6-O-D-glucopyranosyl-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β)-3-(α-L-Arabinopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-28-yl]-6-O-D-glucopyranosyl-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β)-3-(α-L-Arabinopyranosyloxy)-23-hydroxy-28-oxooléan-12-én-28-yl]-6-O-D-glucopyranosyl-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(3β)-3-(α-L-arabinopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-28-yl]-6-O-D-glucopyranosyl- [ACD/Index Name]
39524-08-8 [RN]
Asperosaponin VI

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

Density: 1.4±0.1 g/cm3
Boiling Point: 990.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 163.6±6.0 kJ/mol
Flash Point: 282.1±27.8 °C
Index of Refraction: 1.627
Molar Refractivity: 230.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 167.55
ACD/KOC (pH 5.5): 1359.50
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 167.55
ACD/KOC (pH 7.4): 1359.49
Polar Surface Area: 295 Å2
Polarizability: 91.2±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 649.1±5.0 cm3

Click to predict properties on the Chemicalize site


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