ChemSpider 2D Image | 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-beta-D-glucopyranosyl-6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-alpha-D-glucopyranoside | C44H50O25

7-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-β-D-glucopyranosyl-6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-α-D-glucopyranoside

  • Molecular FormulaC44H50O25
  • Average mass978.853 Da
  • Monoisotopic mass978.264099 Da
  • ChemSpider ID30776754

  • 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-O-β-D-Glucopyranosyl-6-O-[(2E)-3-(4-hydroxy-3,5-diméthoxyphényl)-2-propenoyl]-α-D-glucopyranoside de 7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[2-O-β-D-glucopyranosyl-6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-α-D-glucopyranosyl]oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphe nyl)- [ACD/Index Name]
7-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-β-D-glucopyranosyl-6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-α-D-glucopyranoside [ACD/IUPAC Name]
7-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-2-O-β-D-glucopyranosyl-6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-α-D-glucopyranosid [German] [ACD/IUPAC Name]
[(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy
[(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-3-yl]oxy}-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(
[(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-3-yl]oxy}-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-
Kaempferol 3-O-sinapoyl-sophoroside 7-O-glucoside

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

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1262.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 197.5±3.0 kJ/mol
Flash Point: 372.1±27.8 °C
Index of Refraction: 1.733
Molar Refractivity: 225.0±0.4 cm3
#H bond acceptors: 25
#H bond donors: 13
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -1.45
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.49
ACD/LogD (pH 7.4): -3.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 389 Å2
Polarizability: 89.2±0.5 10-24cm3
Surface Tension: 113.8±5.0 dyne/cm
Molar Volume: 561.7±5.0 cm3

Click to predict properties on the Chemicalize site


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