ChemSpider 2D Image | Variabiloside B | C42H46O23

Variabiloside B

  • Molecular FormulaC42H46O23
  • Average mass918.801 Da
  • Monoisotopic mass918.242981 Da
  • ChemSpider ID10290076

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-galactopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-3-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-4-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-galactopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-h ydroxy- [ACD/Index Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-4-O-[(2Z)-3-(4-hydroxyphényl)-2-propenoyl]-β-D-galactopyranoside de 2-(3,4-dihydroxyphényl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Variabiloside B

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1225.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 190.9±3.0 kJ/mol
Flash Point: 366.9±27.8 °C
Index of Refraction: 1.755
Molar Refractivity: 212.3±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.87
ACD/LogD (pH 7.4): -2.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 371 Å2
Polarizability: 84.1±0.5 10-24cm3
Surface Tension: 119.8±5.0 dyne/cm
Molar Volume: 518.6±5.0 cm3

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