ChemSpider 2D Image | beta-D-Xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(2beta,3beta,5xi,16alpha,18alpha)-3-(beta-D-glucopyranosyloxy)-2,16,23-trihydroxy-28-oxoolean-12-en-28-yl]-beta-D-galacto pyranose | C53H86O23

β-D-Xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(2β,3β,5ξ,16α,18α)-3-(β-D-glucopyranosyloxy)-2,16,23-trihydroxy-28-oxoolean-12-en-28-yl]-β-D-galacto pyranose

  • Molecular FormulaC53H86O23
  • Average mass1091.236 Da
  • Monoisotopic mass1090.556030 Da
  • ChemSpider ID9978923

  • defined stereocentres - 29 of 30 defined stereocentres

More details:

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

β-D-Galactopyranose, O-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(2β,3β,5ξ,16α,18α)-3-(β-D-glucopyranosyloxy)-2,16,23-trihydroxy-28-oxoolean -12-en-28-yl]- [ACD/Index Name]
β-D-Xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(2β,3β,5ξ,16α,18α)-3-(β-D-glucopyranosyloxy)-2,16,23-trihydroxy-28-oxoolean-12-en-28-yl]-β-D-galacto pyranose [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->2)-6-desoxy-1-O-[(2β,3β,5ξ,16α,18α)-3-(β-D-glucopyranosyloxy)-2,16,23-trihydroxy-28-oxoolean-12-en-28-yl]-β-D-galac topyranose [German] [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->2)-6-désoxy-1-O-[(2β,3β,5ξ,16α,18α)-3-(β-D-glucopyranosyloxy)-2,16,23-trihydroxy-28-oxooléan-12-én-28-yl]-β-D-galac topyranose [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 263.8±0.4 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 46.89
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 46.89
Polar Surface Area: 374 Å2
Polarizability: 104.6±0.5 10-24cm3
Surface Tension: 81.8±5.0 dyne/cm
Molar Volume: 733.1±5.0 cm3

Click to predict properties on the Chemicalize site


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