ChemSpider 2D Image | (3beta,5alpha,14xi)-3-{[2-O-(2,6-Dideoxy-D-arabino-hexopyranosyl)-beta-D-glucopyranosyl]oxy}-14-hydroxycard-20(22)-enolide | C35H54O12

(3β,5α,14ξ)-3-{[2-O-(2,6-Dideoxy-D-arabino-hexopyranosyl)-β-D-glucopyranosyl]oxy}-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC35H54O12
  • Average mass666.796 Da
  • Monoisotopic mass666.361511 Da
  • ChemSpider ID153221
  • defined stereocentres - 15 of 17 defined stereocentres


More details:






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

(3β,5α,14ξ)-3-{[2-O-(2,6-Dideoxy-D-arabino-hexopyranosyl)-β-D-glucopyranosyl]oxy}-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5α,14ξ)-3-{[2-O-(2,6-Didesoxy-D-arabino-hexopyranosyl)-β-D-glucopyranosyl]oxy}-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5α,14ξ)-3-{[2-O-(2,6-Didésoxy-D-arabino-hexopyranosyl)-β-D-glucopyranosyl]oxy}-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[2-O-(2,6-dideoxy-D-arabino-hexopyranosyl)-β-D-glucopyranosyl]oxy]-14-hydroxy-, (3β,5α,14ξ)- [ACD/Index Name]
100857-42-9 [RN]
Card-20(22)-enolide, 3-((O-(2,6-dideoxy-D-arabino-hexosyl)-D-glucosyl)oxy)-14-hydroxy-, (3β,5α)-
UGGC
Uzarigenin-glucoside-canaroside

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 850.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.5±6.0 kJ/mol
Flash Point: 264.4±27.8 °C
Index of Refraction: 1.612
Molar Refractivity: 167.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.61
ACD/KOC (pH 5.5): 248.82
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.61
ACD/KOC (pH 7.4): 248.81
Polar Surface Area: 185 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 480.9±5.0 cm3

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