ChemSpider 2D Image | 6-O-beta-L-Glucopyranosyl-1-O-[(3alpha,5beta,8alpha,9beta,10alpha,14beta,17alpha,18alpha)-3-{[beta-L-glucopyranosyl-(1->3)-6-deoxy-alpha-D-mannopyranosyl-(1->2)-alpha-D-arabinopyranosyl]oxy}-24-hydrox y-28-oxoolean-12-en-28-yl]-beta-L-glucopyranose | C59H96O27

6-O-β-L-Glucopyranosyl-1-O-[(3α,5β,8α,9β,10α,14β,17α,18α)-3-{[β-L-glucopyranosyl-(1->3)-6-deoxy-α-D-mannopyranosyl-(1->2)-α-D-arabinopyranosyl]oxy}-24-hydrox y-28-oxoolean-12-en-28-yl]-β-L-glucopyranose

  • Molecular FormulaC59H96O27
  • Average mass1237.377 Da
  • Monoisotopic mass1236.613892 Da
  • ChemSpider ID82964447

  • defined stereocentres - 33 of 33 defined stereocentres

More details:

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

6-O-β-L-Glucopyranosyl-1-O-[(3α,5β,8α,9β,10α,14β,17α,18α)-3-{[β-L-glucopyranosyl-(1->3)-6-deoxy-α-D-mannopyranosyl-(1->2)-α-D-arabinopyranosyl]oxy}-24-hydrox 
y-28-oxoolean-12-en-28-yl]-β-L-glucopyranose [ACD/IUPAC Name]
6-O-β-L-Glucopyranosyl-1-O-[(3α,5β,8α,9β,10α,14β,17α,18α)-3-{[β-L-glucopyranosyl-(1->3)-6-desoxy-α-D-mannopyranosyl-(1->2)-α-D-arabinopyranosyl]oxy}-24-hydro 
xy-28-oxoolean-12-en-28-yl]-β-L-glucopyranose [German] [ACD/IUPAC Name]
6-O-β-L-Glucopyranosyl-1-O-[(3α,5β,8α,9β,10α,14β,17α,18α)-3-{[β-L-glucopyranosyl-(1->3)-6-désoxy-α-D-mannopyranosyl-(1->2)-α-D-arabinopyranosyl]oxy}-24-hydro 
xy-28-oxooléan-12-én-28-yl]-β-L-glucopyranose [French] [ACD/IUPAC Name]
β-L-Glucopyranose, 6-O-β-L-glucopyranosyl-1-O-[(3α,5β,8α,9β,10α,14β,17α,18α)-3-[[O-β-L-glucopyranosyl-(1->3)-O-6-deoxy-α-D-mannopyranosyl-(1->2)-α-D-arabi nopyranosyl]oxy]-24-hydroxy-28-oxoolean-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: 1.644
Molar Refractivity: 296.0±0.4 cm3
#H bond acceptors: 27
#H bond donors: 16
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.92
ACD/KOC (pH 5.5): 92.47
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.92
ACD/KOC (pH 7.4): 92.47
Polar Surface Area: 433 Å2
Polarizability: 117.4±0.5 10-24cm3
Surface Tension: 85.4±5.0 dyne/cm
Molar Volume: 817.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement