ChemSpider 2D Image | (6beta,8xi,9xi,12alpha,13xi,14beta,17xi)-20-(beta-D-Glucopyranosyloxy)-3,12-dihydroxy-4,4,14-trimethyl-18-norcholest-24-en-6-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C46H78O18

(6β,8ξ,9ξ,12α,13ξ,14β,17ξ)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxy-4,4,14-trimethyl-18-norcholest-24-en-6-yl 2-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC46H78O18
  • Average mass919.101 Da
  • Monoisotopic mass918.518799 Da
  • ChemSpider ID2300249

  • defined stereocentres - 19 of 25 defined stereocentres

More details:

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

(6β,8ξ,9ξ,12α,13ξ,14β,17ξ)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxy-4,4,14-trimethyl-18-norcholest-24-en-6-yl 2-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(6β,8ξ,9ξ,12α,13ξ,14β,17ξ)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxy-4,4,14-trimethyl-18-norcholest-24-en-6-yl-2-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Xylopyranosyl-β-D-glucopyranoside de (6β,8ξ,9ξ,12α,13ξ,14β,17ξ)-20-(β-D-glucopyranosyloxy)-3,12-dihydroxy-4,4,14-triméthyl-18-norcholest-24-én-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (6β,8ξ,9ξ,12α,13ξ,14β)-17-[(1S)-1-(β-D-glucopyranosyloxy)-1,5-dimethyl-4-hexen-1-yl]-3,12-dihydroxy-4,4,10,14-tetramethylgonan-6-yl 2-O-β-D-xylopyranosyl- [ACD/Index Name]
80418-24-2 [RN]
Notoginsenoside R 1

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1013.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 167.6±6.0 kJ/mol
Flash Point: 566.8±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 228.9±0.4 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.96
ACD/KOC (pH 5.5): 241.15
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.96
ACD/KOC (pH 7.4): 241.15
Polar Surface Area: 298 Å2
Polarizability: 90.7±0.5 10-24cm3
Surface Tension: 73.8±5.0 dyne/cm
Molar Volume: 654.0±5.0 cm3

Click to predict properties on the Chemicalize site


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