ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}-L-mannopyranoside | C36H36O17

5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-L-mannopyranoside

  • Molecular FormulaC36H36O17
  • Average mass740.661 Da
  • Monoisotopic mass740.195251 Da
  • ChemSpider ID4947006

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 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]-β-D-glucopyranosyl]-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-L-mannopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-6-desoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-β-D-glucopyranosyl}-L-mannopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
[(2R,3S,4S,5R,6S)-6-{[(3R,4R,5R,6S)-2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
107190-70-5 [RN]
4H-1-BENZOPYRAN-4-ONE,3-[[6-DEOXY-2-O-[6-O-[3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL]-B-D-GLUCOPYRANOSYL]-A-L-MANNOPYRANOSYL]OXY]-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-
Kaempferol 3-[2''-(p-coumaroylglucosyl)rhamnoside]

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: 1056.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.0±3.0 kJ/mol
Flash Point: 331.7±27.8 °C
Index of Refraction: 1.740
Molar Refractivity: 177.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.26
ACD/KOC (pH 5.5): 209.98
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.00
Polar Surface Area: 272 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 106.0±5.0 dyne/cm
Molar Volume: 438.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement