ChemSpider 2D Image | Gumoside A | C35H48O14

Gumoside A

  • Molecular FormulaC35H48O14
  • Average mass692.747 Da
  • Monoisotopic mass692.304382 Da
  • ChemSpider ID26390169

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1R,4R,4aS,7R,8aS)-7-Hydroxy-4a,8,8-trimethyl-3-methylen-4-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}decahydro-1-naphthalinyl-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-gluc opyranosid [German] [ACD/IUPAC Name]
(1R,4R,4aS,7R,8aS)-7-Hydroxy-4a,8,8-trimethyl-3-methylene-4-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}decahydro-1-naphthalenyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glu copyranoside [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 7-[[(1R,4R,4aS,6R,8aS)-decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-4-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]-1-na phthalenyl]methoxy]- [ACD/Index Name]
6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de (1R,4R,4aS,7R,8aS)-7-hydroxy-4a,8,8-triméthyl-3-méthylène-4-{[(2-oxo-2H-chromén-7-yl)oxy]méthyl}décahydro -1-naphtalényle [French] [ACD/IUPAC Name]
Gumoside A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 893.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.0±3.0 kJ/mol
Flash Point: 278.2±27.8 °C
Index of Refraction: 1.639
Molar Refractivity: 171.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.48
ACD/KOC (pH 5.5): 174.06
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.48
ACD/KOC (pH 7.4): 174.06
Polar Surface Area: 214 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 75.0±5.0 dyne/cm
Molar Volume: 475.9±5.0 cm3

Click to predict properties on the Chemicalize site


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