ChemSpider 2D Image | (3beta,5beta)-3-{[beta-D-Glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl]oxy}-8,14-epoxycarda-16,20(22)-dienolide | C42H62O17

(3β,5β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl]oxy}-8,14-epoxycarda-16,20(22)-dienolide

  • Molecular FormulaC42H62O17
  • Average mass838.932 Da
  • Monoisotopic mass838.398682 Da
  • ChemSpider ID60600987
  • defined stereocentres - 21 of 21 defined stereocentres


More details:






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

(3β,5β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl]oxy}-8,14-epoxycarda-16,20(22)-dienolide [ACD/IUPAC Name]
(3β,5β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-2,6-didesoxy-3-O-methyl-β-D-arabino-hexopyranosyl]oxy}-8,14-epoxycarda-16,20(22)-dienolid [German] [ACD/IUPAC Name]
(3β,5β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-β-D-arabino-hexopyranosyl]oxy}-8,14-époxycarda-16,20(22)-diénolide [French] [ACD/IUPAC Name]
Carda-16,20(22)-dienolide, 8,14-epoxy-3-[[O-β-D-glucopyranosyl-(1->6)-O-β-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl]oxy]-, (3β,5β)- [ACD/Index Name]
143212-60-6 [RN]

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: 1.632
Molar Refractivity: 203.7±0.4 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.81
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.81
Polar Surface Area: 245 Å2
Polarizability: 80.8±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 571.3±5.0 cm3

Click to predict properties on the Chemicalize site






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