ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-alpha-D-galactopyranosyl}-alpha-D-galactopyranoside | C37H38O18

5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-D-galactopyranosyl}-α-D-galactopyranoside

  • Molecular FormulaC37H38O18
  • Average mass770.687 Da
  • Monoisotopic mass770.205811 Da
  • ChemSpider ID4481077

  • 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

4H-1-Benzopyran-4-one, 3-[[6-deoxy-2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-α-D-galactopyranosyl]-α-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-D-galactopyranosyl}-α-D-galactopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl-6-desoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-D-galactopyranosyl}-α-D-galactopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-α-D-galactopyranosyl}-α-D-galactopyranoside de 5,7-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
3-(4-Hydroxy-phenyl)-acrylic acid 6-{2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-4H-chromen-3-yloxy]-4,5-dihydroxy-6-methyl-tetrahydro-pyran-3-yloxy}-3,4,5-trihydroxy-tetrahydro-pyran-2-ylmethyl ester
4H-1-benzopyran-4-one, 3-[[6-deoxy-2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]hexopyranosyl]hexopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]hexopyranosyl}hexopyranoside
Isorhamnetin 3-O-α-L-[6'''-p-coumaroyl-(β-D)-glucopyranosyl-(1,2)-rhamnopyranoside]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1067.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.9±3.0 kJ/mol
Flash Point: 332.0±27.8 °C
Index of Refraction: 1.728
Molar Refractivity: 183.4±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.05
ACD/KOC (pH 5.5): 183.61
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.41
Polar Surface Area: 281 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 103.1±5.0 dyne/cm
Molar Volume: 460.3±5.0 cm3

Click to predict properties on the Chemicalize site


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