ChemSpider 2D Image | 1-O-[(3beta,5xi,16alpha,18alpha)-3-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy}-16,23-dihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose | C47H76O18

1-O-[(3β,5ξ,16α,18α)-3-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-16,23-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC47H76O18
  • Average mass929.096 Da
  • Monoisotopic mass928.503174 Da
  • ChemSpider ID165807

  • defined stereocentres - 23 of 24 defined stereocentres

More details:

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

1-O-[(3β,5ξ,16α,18α)-3-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-16,23-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β,5ξ,16α,18α)-3-{[2-O-(6-Desoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-16,23-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β,5ξ,16α,18α)-3-{[2-O-(6-Désoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-16,23-dihydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(3β,5ξ,16α,18α)-3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-16,23-dihydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
158511-58-1 [RN]
3-O-Rhamnopyranosyl-1-2-L-arabinopyranosylcaulophyllogenin 28-O-glucopyranoside
Medicago-saponin P(2)
Medicago-saponin P2

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

Density: 1.4±0.1 g/cm3
Boiling Point: 988.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 163.3±6.0 kJ/mol
Flash Point: 281.5±27.8 °C
Index of Refraction: 1.626
Molar Refractivity: 230.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 668.86
ACD/KOC (pH 5.5): 3661.85
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 668.86
ACD/KOC (pH 7.4): 3661.82
Polar Surface Area: 295 Å2
Polarizability: 91.2±0.5 10-24cm3
Surface Tension: 75.4±5.0 dyne/cm
Molar Volume: 649.7±5.0 cm3

Click to predict properties on the Chemicalize site


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