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]-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose | C53H86O23

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]-6-O-β-D-glucopyranosyl-β-D-glucopyranose

  • Molecular FormulaC53H86O23
  • Average mass1091.236 Da
  • Monoisotopic mass1090.556030 Da
  • ChemSpider ID165806

  • defined stereocentres - 28 of 29 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]-6-O-β-D-glucopyranosyl-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]-6-O-β-D-glucopyranosyl-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]-6-O-β-D-glucopyranosyl-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]-6-O-β-D-glucopyranosyl- [ACD/Index Name]
158511-57-0 [RN]
3-O-Rhamnopyranosyl-1-2-arabinopyranosylcaulophyllogenin 28-O-glucopyranosyl-1-6-glucopyranoside
Medicago-saponin P(1)
Medicago-saponin P1

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: 1.640
Molar Refractivity: 263.8±0.4 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.25
ACD/KOC (pH 5.5): 209.04
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.25
ACD/KOC (pH 7.4): 209.03
Polar Surface Area: 374 Å2
Polarizability: 104.6±0.5 10-24cm3
Surface Tension: 82.4±5.0 dyne/cm
Molar Volume: 732.4±5.0 cm3

Click to predict properties on the Chemicalize site


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