ChemSpider 2D Image | (1beta,3beta,5alpha,12beta,17beta)-17-(2-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-6-methyl-5-hepten-2-yl)-12-hydroxy-1,4,4,8,14-pentamethylgonan-3-yl 2-O-beta-D-glucopyranosyl-beta-D-g lucopyranoside | C54H92O23

(1β,3β,5α,12β,17β)-17-(2-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-6-methyl-5-hepten-2-yl)-12-hydroxy-1,4,4,8,14-pentamethylgonan-3-yl 2-O-β-D-glucopyranosyl-β-D-g lucopyranoside

  • Molecular FormulaC54H92O23
  • Average mass1109.295 Da
  • Monoisotopic mass1108.602905 Da
  • ChemSpider ID26330343

  • defined stereocentres - 30 of 31 defined stereocentres

More details:

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

(1β,3β,5α,12β,17β)-17-(2-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-6-methyl-5-hepten-2-yl)-12-hydroxy-1,4,4,8,14-pentamethylgonan-3-yl 2-O-β-D-glucopyranosyl-β-D-g lucopyranoside [ACD/IUPAC Name]
(1β,3β,5α,12β,17β)-17-(2-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-6-methyl-5-hepten-2-yl)-12-hydroxy-1,4,4,8,14-pentamethylgonan-3-yl-2-O-β-D-glucopyranosyl-β-D-g lucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (1β,3β,5α,12β,17β)-17-(2-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-6-méthyl-5-heptén-2-yl)-12-hydroxy-1,4,4,8,14-pent améthylgonan-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1β,3β,5α,12β,17β)-17-[1-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-1,5-dimethyl-4-hexen-1-yl]-12-hydroxy-1,4,4,8,14-pentamethylgonan-3-yl 2-O-β- D-glucopyranosyl- [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1R,3R,5S,7R,10R,11R,14S,15R,16R)-5-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-3,6,6,10,11-pentamethyltetracyclo[8.7.0.02,7.011,15]heptadecan-14-yl]-6-methylhept-5-en-2-yl]oxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
41753-43-9 [RN]
ginsenoside Rb1

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

7413S0WMH6 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1149.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 191.7±6.0 kJ/mol
Flash Point: 649.2±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 271.8±0.4 cm3
#H bond acceptors: 23
#H bond donors: 15
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 2.64
ACD/KOC (pH 5.5): 69.62
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.64
ACD/KOC (pH 7.4): 69.61
Polar Surface Area: 377 Å2
Polarizability: 107.8±0.5 10-24cm3
Surface Tension: 78.2±5.0 dyne/cm
Molar Volume: 769.2±5.0 cm3

Click to predict properties on the Chemicalize site


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