ChemSpider 2D Image | (3beta,5beta)-3-{[6-Deoxy-4-O-(beta-D-glucopyranosyl)-alpha-L-mannopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolide | C35H52O14

(3β,5β)-3-{[6-Deoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC35H52O14
  • Average mass696.779 Da
  • Monoisotopic mass696.335693 Da
  • ChemSpider ID23311734

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3β,5β)-3-{[6-Deoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-{[6-Desoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-{[6-Désoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-14-hydroxy-19-oxo-, (3β,5β)- [ACD/Index Name]
3-O-β-D-glucopyranosyl-(1->4)-α-L-rhamnopyranosylcannogenin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL399334/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 900.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.6±6.0 kJ/mol
Flash Point: 280.3±27.8 °C
Index of Refraction: 1.630
Molar Refractivity: 169.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.74
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.74
Polar Surface Area: 222 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 75.7±5.0 dyne/cm
Molar Volume: 475.6±5.0 cm3

Click to predict properties on the Chemicalize site


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