ChemSpider 2D Image | 1-O-[(3beta,5xi,18xi)-3-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-D-xylopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose | C53H86O21

1-O-[(3β,5ξ,18ξ)-3-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-D-xylopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-6-O-β-D-glucopyranosyl-β-D-glucopyranose

  • Molecular FormulaC53H86O21
  • Average mass1059.237 Da
  • Monoisotopic mass1058.566162 Da
  • ChemSpider ID8923951
  • defined stereocentres - 25 of 27 defined stereocentres


More details:






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

1-O-[(3β,5ξ,18ξ)-3-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-D-xylopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-6-O-β-D-glucopyranosyl-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β,5ξ,18ξ)-3-{[2-O-(6-Desoxy-α-L-mannopyranosyl)-α-D-xylopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-6-O-β-D-glucopyranosyl-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β,5ξ,18ξ)-3-{[2-O-(6-Désoxy-α-L-mannopyranosyl)-α-D-xylopyranosyl]oxy}-28-oxooléan-12-én-28-yl]-6-O-β-D-glucopyranosyl-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(3β,5ξ,18ξ)-3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-D-xylopyranosyl]oxy]-28-oxoolean-12-en-28-yl]-6-O-β-D-glucopyranosyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 260.8±0.4 cm3
#H bond acceptors: 21
#H bond donors: 12
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 614.81
ACD/KOC (pH 5.5): 3447.50
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 614.80
ACD/KOC (pH 7.4): 3447.48
Polar Surface Area: 334 Å2
Polarizability: 103.4±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 737.7±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement