ChemSpider 2D Image | (1S)-1,5-Anhydro-1-{(1S)-1-[3-{[2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}-10-(hydroxymethyl)-4,4,8,14-tetramethylgonan-17-yl]-1-hydroxy-5-methyl-4-hexen-1-yl}-D-glucitol | C47H80O18

(1S)-1,5-Anhydro-1-{(1S)-1-[3-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-10-(hydroxymethyl)-4,4,8,14-tetramethylgonan-17-yl]-1-hydroxy-5-methyl-4-hexen-1-yl}-D-glucitol

  • Molecular FormulaC47H80O18
  • Average mass933.127 Da
  • Monoisotopic mass932.534485 Da
  • ChemSpider ID10142393

  • defined stereocentres - 15 of 24 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-{(1S)-1-[3-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-10-(hydroxymethyl)-4,4,8,14-tetramethylgonan-17-yl]-1-hydroxy-5-methyl-4-hexen-1-yl}-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{(1S)-1-[3-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-10-(hydroxymethyl)-4,4,8,14-tetramethylgonan-17-yl]-1-hydroxy-5-methyl-4-hexen-1-yl}-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{(1S)-1-[3-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-10-(hydroxyméthyl)-4,4,8,14-tétraméthylgonan-17-yl]-1-hydroxy-5-méthyl-4-hexén-1-yl}-D-glucitol [French] [ACD/IUPAC Name]
Gypenoside XVIII

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1038.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 171.9±6.0 kJ/mol
Flash Point: 581.8±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 233.3±0.4 cm3
#H bond acceptors: 18
#H bond donors: 13
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.14
ACD/KOC (pH 5.5): 359.58
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.14
ACD/KOC (pH 7.4): 359.58
Polar Surface Area: 309 Å2
Polarizability: 92.5±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 660.4±5.0 cm3

Click to predict properties on the Chemicalize site


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