ChemSpider 2D Image | KAEMPFEROL-3-O-(6'''-TRANS-P-COUMAROYL-2''-GLUCOSYL)RHAMNOSIDE | C36H36O17

KAEMPFEROL-3-O-(6'''-TRANS-P-COUMAROYL-2''-GLUCOSYL)RHAMNOSIDE

  • Molecular FormulaC36H36O17
  • Average mass740.661 Da
  • Monoisotopic mass740.195251 Da
  • ChemSpider ID9839631

  • 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

111957-48-3 [RN]
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]-α-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}-α-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}-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-β-D-glucopyranosyl}-α-L-mannopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
KAEMPFEROL-3-O-(6'''-TRANS-P-COUMAROYL-2''-GLUCOSYL)RHAMNOSIDE
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}-α-L-mannopyranoside
kaempferol 3-O-α-L-[6'''-p-coumaroyl-β-D-glucopyranosyl-(1->2)-rhamnopyranoside]
missing

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

7NMJ4SI4P6 [DBID]
UNII:7NMJ4SI4P6 [DBID]
  • Miscellaneous

    • Chemical Class:

      A glycosyloxyflavone that consists of kaempferol attached to a <stereo>alpha</stereo>-<stereo>L</stereo>-[6'''-<ital>p</ital>-coumaroyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl-(1<arrow >right</arrow>2)-rhamnopyranosyl] moiety at position 3 via a glycosdic linkage. Isolated from the leaves of <ital>Ginkgo biloba</ital>, it exhibits antioxidant activity. ChEBI CHEBI:66131
      A glycosyloxyflavone that consists of kaempferol attached to a alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranosyl] moiety at position 3 via a glycosdic linkage. Isolated from the l eaves of Ginkgo biloba, it exhibits antioxidant activity. ChEBI CHEBI:66131
      A glycosyloxyflavone that consists of kaempferol attached to a alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1right2)-rhamnopyranosyl] moiety at position 3 via a glycosdic linkage. Isolated from th e leaves of Ginkgo biloba, it exhibits antioxidant activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66131

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

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