ChemSpider 2D Image | beta-D-Xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(3beta,5xi,9xi,16alpha,18xi)-3-{[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28- yl]-alpha-L-arabinopyranose | C58H94O25

β-D-Xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(3β,5ξ,9ξ,16α,18ξ)-3-{[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28- yl]-α-L-arabinopyranose

  • Molecular FormulaC58H94O25
  • Average mass1191.352 Da
  • Monoisotopic mass1190.608398 Da
  • ChemSpider ID9632397

  • defined stereocentres - 29 of 32 defined stereocentres

More details:

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

α-L-Arabinopyranose, O-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(3β,5ξ,9ξ,16α,18ξ)-3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-16- hydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
β-D-Xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(3β,5ξ,9ξ,16α,18ξ)-3-{[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28- 
yl]-α-L-arabinopyranose [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->2)-1-O-[(3β,5ξ,9ξ,16α,18ξ)-3-{[2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-2 
8-yl]-α-L-arabinopyranose [German] [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->2)-1-O-[(3β,5ξ,9ξ,16α,18ξ)-3-{[2-O-(6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-16-hydroxy-28-oxooléan-12-én-2 
8-yl]-α-L-arabinopyranose [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: 1.633
Molar Refractivity: 288.3±0.4 cm3
#H bond acceptors: 25
#H bond donors: 14
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.44
ACD/KOC (pH 5.5): 1484.36
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.44
ACD/KOC (pH 7.4): 1484.35
Polar Surface Area: 393 Å2
Polarizability: 114.3±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 807.2±5.0 cm3

Click to predict properties on the Chemicalize site


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