ChemSpider 2D Image | (3beta,16beta,20R)-16-({2-O-Acetyl-3-O-[2-O-(3,4,5-trimethoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranosyl}oxy)-17-hydroxy-22-oxocholest-5-en-3-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopy ranosyl-(1->6)-beta-D-glucopyranoside | C67H102O32

(3β,16β,20R)-16-({2-O-Acetyl-3-O-[2-O-(3,4,5-trimethoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosyl}oxy)-17-hydroxy-22-oxocholest-5-en-3-yl β-D-glucopyranosyl-(1->4)-β-D-glucopy ranosyl-(1->6)-β-D-glucopyranoside

  • Molecular FormulaC67H102O32
  • Average mass1419.508 Da
  • Monoisotopic mass1418.635376 Da
  • ChemSpider ID29367956

  • defined stereocentres - 32 of 32 defined stereocentres

More details:

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

(3β,16β,20R)-16-({2-O-Acetyl-3-O-[2-O-(3,4,5-trimethoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosyl}oxy)-17-hydroxy-22-oxocholest-5-en-3-yl β-D-glucopyranosyl-(1->4)-β-D-glucopy 
ranosyl-(1->6)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,16β,20R)-16-({2-O-Acetyl-3-O-[2-O-(3,4,5-trimethoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosyl}oxy)-17-hydroxy-22-oxocholest-5-en-3-yl-β-D-glucopyranosyl-(1->4)-β-D-glucopy 
ranosyl-(1->6)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Cholest-5-en-22-one, 16-[[2-O-acetyl-3-O-[2-O-(3,4,5-trimethoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosyl]oxy]-3-[[O-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-β-D-glu copyranosyl]oxy]-17-hydroxy-, (3β,16β,20R)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside de (3β,16β,20R)-16-({2-O-acétyl-3-O-[2-O-(3,4,5-triméthoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosyl 
}oxy)-17-hydroxy-22-oxocholest-5-én-3-yle [French] [ACD/IUPAC Name]
3β-[(O-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl)oxy]-17α-hydroxy-16β-[(O-(2-O-3,4,5-trimethoxybenzoyl-β-D-xylopyranosyl)-(1->3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]cholest-5-en-22-one

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 337.8±0.4 cm3
#H bond acceptors: 32
#H bond donors: 14
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 17.07
ACD/KOC (pH 5.5): 265.05
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 17.07
ACD/KOC (pH 7.4): 265.05
Polar Surface Area: 473 Å2
Polarizability: 133.9±0.5 10-24cm3
Surface Tension: 80.2±5.0 dyne/cm
Molar Volume: 951.5±5.0 cm3

Click to predict properties on the Chemicalize site


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