ChemSpider 2D Image | (3beta,5alpha,12beta,14xi)-3-(beta-D-Glucopyranosyloxy)-12-hydroxy-4,4,8-trimethyl-18-norcholest-24-en-20-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C47H80O18

(3β,5α,12β,14ξ)-3-(β-D-Glucopyranosyloxy)-12-hydroxy-4,4,8-trimethyl-18-norcholest-24-en-20-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC47H80O18
  • Average mass933.127 Da
  • Monoisotopic mass932.534485 Da
  • ChemSpider ID45743509

  • defined stereocentres - 24 of 25 defined stereocentres

More details:

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

(3β,5α,12β,14ξ)-3-(β-D-Glucopyranosyloxy)-12-hydroxy-4,4,8-trimethyl-18-norcholest-24-en-20-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5α,12β,14ξ)-3-(β-D-Glucopyranosyloxy)-12-hydroxy-4,4,8-trimethyl-18-norcholest-24-en-20-yl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (3β,5α,12β,14ξ)-3-(β-D-glucopyranosyloxy)-12-hydroxy-4,4,8-triméthyl-18-norcholest-24-én-20-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1S)-1-[(3β,5α,12β,14ξ,17β)-3-(β-D-glucopyranosyloxy)-12-hydroxy-4,4,8,10-tetramethylgonan-17-yl]-1,5-dimethyl-4-hexen-1-yl 6-O-β-D-glucopyranosyl- [ACD/Index Name]
80321-69-3 [RN]
Gynosaponin S
Gypenoside XVII
MFCD10566703

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1016.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 168.1±6.0 kJ/mol
Flash Point: 568.5±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 233.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.29
ACD/KOC (pH 5.5): 320.83
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.29
ACD/KOC (pH 7.4): 320.83
Polar Surface Area: 298 Å2
Polarizability: 92.6±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 670.0±5.0 cm3

Click to predict properties on the Chemicalize site


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