Found 1 result

Search term: VTQRKJZNWCOWBO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3beta,16beta)-16-({2-O-Acetyl-3-O-[2-O-(4-hydroxy-3-methoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranosyl}oxy)-17-hydroxy-22-oxocholest-5-en-3-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyr anosyl-(1->6)-beta-D-glucopyranoside | C65H98O31

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

  • Molecular FormulaC65H98O31
  • Average mass1375.455 Da
  • Monoisotopic mass1374.609253 Da
  • ChemSpider ID9248428

  • 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-[2-O-(4-hydroxy-3-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosyl}oxy)-17-hydroxy-22-oxocholest-5-en-3-yl β-D-glucopyranosyl-(1->4)-β-D-glucopyr 
anosyl-(1->6)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,16β)-16-({2-O-Acetyl-3-O-[2-O-(4-hydroxy-3-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosyl}oxy)-17-hydroxy-22-oxocholest-5-en-3-yl-β-D-glucopyranosyl-(1->4)-β-D-glucopyr 
anosyl-(1->6)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Cholest-5-en-22-one, 16-[[2-O-acetyl-3-O-[2-O-(4-hydroxy-3-methoxybenzoyl)-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-, (3β,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-[2-O-(4-hydroxy-3-méthoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosyl} 
oxy)-17-hydroxy-22-oxocholest-5-én-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-(2-O-4-hydroxy-3-methoxybenzoyl-[β]-D-xylopyranosyl)-(1[to]3)-2-O-acetyl-[α]-L-arabinopyranosyl)oxy]chol...
474125-97-8 [RN]

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: 1.641
Molar Refractivity: 326.6±0.4 cm3
#H bond acceptors: 31
#H bond donors: 15
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.90
ACD/KOC (pH 5.5): 228.73
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 11.77
ACD/KOC (pH 7.4): 193.66
Polar Surface Area: 475 Å2
Polarizability: 129.5±0.5 10-24cm3
Surface Tension: 84.4±5.0 dyne/cm
Molar Volume: 905.7±5.0 cm3

Click to predict properties on the Chemicalize site


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