ChemSpider 2D Image | 1-O-[(3beta,5xi,9xi,18xi)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose | C53H86O21

1-O-[(3β,5ξ,9ξ,18ξ)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC53H86O21
  • Average mass1059.237 Da
  • Monoisotopic mass1058.566162 Da
  • ChemSpider ID9438260
  • defined stereocentres - 24 of 27 defined stereocentres


More details:






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

1-O-[(3β,5ξ,9ξ,18ξ)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->;2)-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β,5ξ,9ξ,18ξ)-3-{[6-Desoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β,5ξ,9ξ,18ξ)-3-{[6-Désoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(3β,5ξ,9ξ,18ξ)-3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy]-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: 1.4±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 260.8±0.0 cm3
#H bond acceptors: 21
#H bond donors: 12
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 4
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 6.27
ACD/BCF (pH 5.5): 34513.32
ACD/KOC (pH 5.5): 61602.32
ACD/LogD (pH 7.4): 6.27
ACD/BCF (pH 7.4): 34513.05
ACD/KOC (pH 7.4): 61601.84
Polar Surface Area: 334 Å2
Polarizability: 103.4±0.0 10-24cm3
Surface Tension: 75.6±0.0 dyne/cm
Molar Volume: 737.7±0.0 cm3

Click to predict properties on the Chemicalize site






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