ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}-beta-D-glucopyranoside | C37H38O19

5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-β-D-glucopyranoside

  • Molecular FormulaC37H38O19
  • Average mass786.686 Da
  • Monoisotopic mass786.200745 Da
  • ChemSpider ID115269903

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-O-{2-O-[(2E)-3-(4-Hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-glucopyranosyl}-β-D-glucopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3,5,7,4'-Tetrahydroxyflavone 3-(2"'-ferulylglucosyl) (1->2)-glucoside
Petunoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1093.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 168.3±3.0 kJ/mol
Flash Point: 339.3±27.8 °C
Index of Refraction: 1.742
Molar Refractivity: 184.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.52
ACD/KOC (pH 5.5): 112.18
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.28
Polar Surface Area: 301 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 110.7±5.0 dyne/cm
Molar Volume: 457.4±5.0 cm3

Click to predict properties on the Chemicalize site


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