ChemSpider 2D Image | Scabiosaponin E | C58H94O25

Scabiosaponin E

  • Molecular FormulaC58H94O25
  • Average mass1191.352 Da
  • Monoisotopic mass1190.608398 Da
  • ChemSpider ID10187675

  • defined stereocentres - 31 of 31 defined stereocentres

More details:

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

6-O-β-D-Glucopyranosyl-1-O-[(3β)-28-oxo-3-{[β-D-xylopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-xylopyranosyl]oxy}olean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-1-O-[(3β)-28-oxo-3-{[β-D-xylopyranosyl-(1->3)-6-desoxy-α-L-mannopyranosyl-(1->2)-β-D-xylopyranosyl]oxy}olean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-1-O-[(3β)-28-oxo-3-{[β-D-xylopyranosyl-(1->3)-6-désoxy-α-L-mannopyranosyl-(1->2)-β-D-xylopyranosyl]oxy}oléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
Scabiosaponin E
β-D-Glucopyranose, 6-O-β-D-glucopyranosyl-1-O-[(3β)-28-oxo-3-[[O-β-D-xylopyranosyl-(1->3)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-xylopyranosyl]oxy]olean-12-en-28-yl]- [ACD/Index Name]
3-O-β-D-xylopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->2)-β-D-xylopyranosyloleanolic acid 28-O-β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside

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: 1.634
Molar Refractivity: 288.4±0.4 cm3
#H bond acceptors: 25
#H bond donors: 14
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 448.86
ACD/KOC (pH 5.5): 2752.39
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 448.86
ACD/KOC (pH 7.4): 2752.36
Polar Surface Area: 393 Å2
Polarizability: 114.3±0.5 10-24cm3
Surface Tension: 80.0±5.0 dyne/cm
Molar Volume: 806.6±5.0 cm3

Click to predict properties on the Chemicalize site


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