ChemSpider 2D Image | Bryonioside G | C42H68O13

Bryonioside G

  • Molecular FormulaC42H68O13
  • Average mass780.982 Da
  • Monoisotopic mass780.466003 Da
  • ChemSpider ID9247917

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(1S,4R,9β)-25-Hydroxy-9,10,14-trimethyl-11,24-dioxo-4,9-cyclo-9,10-secocholest-5-en-1-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4R,9β)-25-Hydroxy-9,10,14-trimethyl-11,24-dioxo-4,9-cyclo-9,10-secocholest-5-en-1-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (1S,4R,9β)-25-hydroxy-9,10,14-triméthyl-11,24-dioxo-4,9-cyclo-9,10-sécocholest-5-én-1-yle [French] [ACD/IUPAC Name]
Bryonioside G
Estr-5-en-11-one, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-17-[(1R)-5-hydroxy-1,5-dimethyl-4-oxohexyl]-4,4,9,14-tetramethyl-, (3β,9β,10α,17β)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL472126/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 872.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.0±6.0 kJ/mol
Flash Point: 254.5±27.8 °C
Index of Refraction: 1.586
Molar Refractivity: 201.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 897.18
ACD/KOC (pH 5.5): 4521.40
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 897.17
ACD/KOC (pH 7.4): 4521.34
Polar Surface Area: 213 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 601.1±5.0 cm3

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