ChemSpider 2D Image | 3-[(3-O-Hexopyranosylpentopyranosyl)oxy]-16,28-dihydroxyolean-12-en-22-yl benzoate | C48H72O14

3-[(3-O-Hexopyranosylpentopyranosyl)oxy]-16,28-dihydroxyolean-12-en-22-yl benzoate

  • Molecular FormulaC48H72O14
  • Average mass873.077 Da
  • Monoisotopic mass872.492188 Da
  • ChemSpider ID24612630

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

3-[(3-O-Hexopyranosylpentopyranosyl)oxy]-16,28-dihydroxyolean-12-en-22-yl benzoate [ACD/IUPAC Name]
3-[(3-O-Hexopyranosylpentopyranosyl)oxy]-16,28-dihydroxyolean-12-en-22-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 3-[(3-O-hexopyranosylpentopyranosyl)oxy]-16,28-dihydroxyoléan-12-én-22-yle [French] [ACD/IUPAC Name]
Pentopyranoside, 22-(benzoyloxy)-16,28-dihydroxyolean-12-en-3-yl 3-O-hexopyranosyl- [ACD/Index Name]
GLOCHIERIOSIDE B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 936.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.7±3.0 kJ/mol
Flash Point: 267.6±27.8 °C
Index of Refraction: 1.621
Molar Refractivity: 227.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 16750.31
ACD/KOC (pH 5.5): 36740.29
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 16750.11
ACD/KOC (pH 7.4): 36739.85
Polar Surface Area: 225 Å2
Polarizability: 90.2±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 646.7±5.0 cm3

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