ChemSpider 2D Image | 1-O-[(3beta)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-gluco pyranose | C59H96O26

1-O-[(3β)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->3)-β-D-glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-gluco pyranose

  • Molecular FormulaC59H96O26
  • Average mass1221.378 Da
  • Monoisotopic mass1220.619019 Da
  • ChemSpider ID128938670

  • defined stereocentres - 33 of 33 defined stereocentres

More details:

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

1-O-[(3β)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->3)-β-D-glucopyranosyl-(1->;3)-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-gluco
 pyranose [ACD/IUPAC Name]
1-O-[(3β)-3-{[6-Desoxy-α-L-mannopyranosyl-(1->3)-β-D-glucopyranosyl-(1->3)-6-desoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glu
 copyranose [German] [ACD/IUPAC Name]
1-O-[(3β)-3-{[6-Désoxy-α-L-mannopyranosyl-(1->3)-β-D-glucopyranosyl-(1->3)-6-désoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxooléan-12-én-28-yl]-β-D-glu
 copyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(3β)-3-[[O-6-deoxy-α-L-mannopyranosyl-(1->3)-O-β-D-glucopyranosyl-(1->3)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy]-23-hydroxy-28-oxoole
 an-12-en-28-yl]- [ACD/Index 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: 1.637
Molar Refractivity: 294.5±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2090.87
ACD/KOC (pH 5.5): 8279.58
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2090.85
ACD/KOC (pH 7.4): 8279.52
Polar Surface Area: 413 Å2
Polarizability: 116.8±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 820.2±5.0 cm3

Click to predict properties on the Chemicalize site


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