ChemSpider 2D Image | (3beta,16beta)-16-{[2-O-Acetyl-3-O-(beta-D-xylopyranosyl)-alpha-L-arabinopyranosyl]oxy}-17-hydroxy-22-oxocholest-5-en-3-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranos
ide | C57H92O28

(3β,16β)-16-{[2-O-Acetyl-3-O-(β-D-xylopyranosyl)-α-L-arabinopyranosyl]oxy}-17-hydroxy-22-oxocholest-5-en-3-yl β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranos ide

  • Molecular FormulaC57H92O28
  • Average mass1225.324 Da
  • Monoisotopic mass1224.577515 Da
  • ChemSpider ID9280338
  • defined stereocentres - 32 of 32 defined stereocentres


More details:






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

(3β,16β)-16-{[2-O-Acetyl-3-O-(β-D-xylopyranosyl)-α-L-arabinopyranosyl]oxy}-17-hydroxy-22-oxocholest-5-en-3-yl β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranos 
ide [ACD/IUPAC Name]
(3β,16β)-16-{[2-O-Acetyl-3-O-(β-D-xylopyranosyl)-α-L-arabinopyranosyl]oxy}-17-hydroxy-22-oxocholest-5-en-3-yl-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranos 
id [German] [ACD/IUPAC Name]
Cholest-5-en-22-one, 16-[(2-O-acetyl-3-O-β-D-xylopyranosyl-α-L-arabinopyranosyl)oxy]-3-[[O-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl]oxy]-17-hydroxy-, (3 β,16β)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside de (3β,16β)-16-{[2-O-acétyl-3-O-(β-D-xylopyranosyl)-α-L-arabinopyranosyl]oxy}-17-hydroxy-22-oxocholest-5-é 
n-3-yle [French] [ACD/IUPAC Name]
3[β]-[(O-[β]-D-glucopyranosyl-(1[to]4)-O-[β]-D-glucopyranosyl-(1[to]6)-[β]-D-glucopyranosyl)oxy)]-17[α]-hydroxy-16[β]-[(O-[β]-D-xylopyranosyl-(1[to]3)-2-O-acetyl-[α]-L-arabinopyranosyl)oxy]cholest-5-en-22-one
474125-94-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 289.1±0.4 cm3
#H bond acceptors: 28
#H bond donors: 15
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.48
ACD/KOC (pH 5.5): 66.65
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.48
ACD/KOC (pH 7.4): 66.65
Polar Surface Area: 439 Å2
Polarizability: 114.6±0.5 10-24cm3
Surface Tension: 83.8±5.0 dyne/cm
Molar Volume: 809.6±5.0 cm3

Click to predict properties on the Chemicalize site






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