ChemSpider 2D Image | (8xi,11alpha,13xi,17xi,20xi)-24-{[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1-yl beta-D-g lucopyranoside | C54H92O24

(8ξ,11α,13ξ,17ξ,20ξ)-24-{[β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1-yl β-D-g lucopyranoside

  • Molecular FormulaC54H92O24
  • Average mass1125.294 Da
  • Monoisotopic mass1124.597900 Da
  • ChemSpider ID20580836

  • defined stereocentres - 22 of 30 defined stereocentres

More details:

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

(8ξ,11α,13ξ,17ξ,20ξ)-24-{[β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1-yl β-D-g ; lucopyranoside [ACD/IUPAC Name]
(8ξ,11α,13ξ,17ξ,20ξ)-24-{[β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1-yl-β-D-g ; lucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (8ξ,11α,13ξ,17ξ,20ξ)-24-{[β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-séco ; cholest-5-én-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (8ξ,9ξ,10ξ,11α,13ξ)-17-[4-[[O-β-D-glucopyranosyl-(1->;2)-O-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranosyl]oxy]-5-hydroxy-1,5-dimethylhexyl]-11-hydroxy-4,4,9,14- ; tetramethylestr-5-en-3-yl [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1179.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 197.1±6.0 kJ/mol
Flash Point: 667.0±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 273.4±0.4 cm3
#H bond acceptors: 24
#H bond donors: 16
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.64
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.64
Polar Surface Area: 398 Å2
Polarizability: 108.4±0.5 10-24cm3
Surface Tension: 81.7±5.0 dyne/cm
Molar Volume: 766.1±5.0 cm3

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