ChemSpider 2D Image | Scabiosaponin D | C59H96O26

Scabiosaponin D

  • Molecular FormulaC59H96O26
  • Average mass1221.378 Da
  • Monoisotopic mass1220.619019 Da
  • ChemSpider ID10187674

  • defined stereocentres - 32 of 32 defined stereocentres

More details:

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

1-O-[(3β)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-6-O-β-D-glucopyranosyl-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β)-3-{[6-Desoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-6-O-β-D-glucopyranosyl-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β)-3-{[6-Désoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-28-oxooléan-12-én-28-yl]-6-O-β-D-glucopyranosyl-β-D-glucopyranose [French] [ACD/IUPAC Name]
Scabiosaponin D
β-D-Glucopyranose, 1-O-[(3β)-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]-6-O-β-D-glucopyranosyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 294.5±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.07
ACD/KOC (pH 5.5): 318.62
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.07
ACD/KOC (pH 7.4): 318.62
Polar Surface Area: 413 Å2
Polarizability: 116.8±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 820.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement