ChemSpider 2D Image | Bryonioside E | C36H60O10

Bryonioside E

  • Molecular FormulaC36H60O10
  • Average mass652.856 Da
  • Monoisotopic mass652.418640 Da
  • ChemSpider ID8230627

  • defined stereocentres - 13 of 15 defined stereocentres

More details:

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

(1S,4R,9β)-1,22,24-Trihydroxy-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-25-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4R,9β)-1,22,24-Trihydroxy-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-25-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Bryonioside E
Estr-5-en-11-one, 17-[(1S)-5-(β-D-glucopyranosyloxy)-2,4-dihydroxy-1,5-dimethylhexyl]-3-hydroxy-4,4,9,14-tetramethyl-, (3β,9β,10α,17β)- [ACD/Index Name]
β-D-Glucopyranoside de (1S,4R,9β)-1,22,24-trihydroxy-9,10,14-triméthyl-11-oxo-4,9-cyclo-9,10-sécocholest-5-én-25-yle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL503377/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 810.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.1±6.0 kJ/mol
Flash Point: 246.5±27.8 °C
Index of Refraction: 1.586
Molar Refractivity: 172.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 32.05
ACD/KOC (pH 5.5): 416.41
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 32.05
ACD/KOC (pH 7.4): 416.41
Polar Surface Area: 177 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 513.6±5.0 cm3

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