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

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

  • Molecular FormulaC37H38O18
  • Average mass770.687 Da
  • Monoisotopic mass770.205811 Da
  • ChemSpider ID4952731

  • 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-O-[6-deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-α-L-mannopyranosyl]-β-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-O-{6-deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-L-mannopyranosyl}-β-D-galactopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl-6-O-{6-desoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-L-mannopyranosyl}-β-D-galactopyranosid [German] [ACD/IUPAC Name]
6-O-{6-Désoxy-4-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-α-L-mannopyranosyl}-β-D-galactopyranoside de 5,7-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
128533-13-1 [RN]
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 4'''-ester with 3-((6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
ICRG
ISORHAMNETIN 3-O-SS-(4'-4-COUMAROYL-A-RHAMNOSYL(1-6)GALACTOSIDE)
Isorhamnetin 3-O-β-(4'''-4-coumaroyl-α-rhamnosyl(1-6)galactoside)

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1052.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.3±3.0 kJ/mol
Flash Point: 327.1±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: 3.68
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.19
ACD/KOC (pH 5.5): 173.28
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.05
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

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