ChemSpider 2D Image | beta-D-Allopyranosyl-(1->4)-6-deoxy-beta-D-gulopyranosyl-(1->2)-1-O-[(3alpha)-3-{[6-deoxy-4-O-(beta-D-ribopyranosyl)-beta-D-gulopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-alpha-D-xylopyranose | C58H94O25

β-D-Allopyranosyl-(1->4)-6-deoxy-β-D-gulopyranosyl-(1->2)-1-O-[(3α)-3-{[6-deoxy-4-O-(β-D-ribopyranosyl)-β-D-gulopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-α-D-xylopyranose

  • Molecular FormulaC58H94O25
  • Average mass1191.352 Da
  • Monoisotopic mass1190.608398 Da
  • ChemSpider ID10142413

  • defined stereocentres - 24 of 32 defined stereocentres

More details:

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

α-D-Xylopyranose, O-β-D-allopyranosyl-(1->4)-O-6-deoxy-β-D-gulopyranosyl-(1->2)-1-O-[(3α)-3-[(6-deoxy-4-O-β-D-ribopyranosyl-β-D-gulopyranosyl)oxy]-16-hydroxy-28-oxoolean-12-en-28-y ; l]- [ACD/Index Name]
β-D-Allopyranosyl-(1->4)-6-deoxy-β-D-gulopyranosyl-(1->2)-1-O-[(3α)-3-{[6-deoxy-4-O-(β-D-ribopyranosyl)-β-D-gulopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-α-D-xylopyranose [ACD/IUPAC Name]
β-D-Allopyranosyl-(1->4)-6-desoxy-β-D-gulopyranosyl-(1->2)-1-O-[(3α)-3-{[6-desoxy-4-O-(β-D-ribopyranosyl)-β-D-gulopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-α-D-xylopyranos ; e [German] [ACD/IUPAC Name]
β-D-Allopyranosyl-(1->4)-6-désoxy-β-D-gulopyranosyl-(1->2)-1-O-[(3α)-3-{[6-désoxy-4-O-(β-D-ribopyranosyl)-β-D-gulopyranosyl]oxy}-16-hydroxy-28-oxooléan-12-én-28-yl]-α-D-xylopyranos ; e [French] [ACD/IUPAC Name]
helianthoside B

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: 1.633
Molar Refractivity: 288.3±0.4 cm3
#H bond acceptors: 25
#H bond donors: 14
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 32.03
ACD/KOC (pH 5.5): 415.90
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 32.03
ACD/KOC (pH 7.4): 415.90
Polar Surface Area: 393 Å2
Polarizability: 114.3±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 807.2±5.0 cm3

Click to predict properties on the Chemicalize site


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