ChemSpider 2D Image | kaempferol 7-O-(2-E-p-coumaroyl-alpha-L-rhamnopyranoside) | C30H26O12

kaempferol 7-O-(2-E-p-coumaroyl-α-L-rhamnopyranoside)

  • Molecular FormulaC30H26O12
  • Average mass578.520 Da
  • Monoisotopic mass578.142456 Da
  • ChemSpider ID9853396

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-L-mannopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-desoxy-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-L-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[6-deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-α-L-mannopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
6-Désoxy-2-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-α-L-mannopyranoside de 3,5-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
870783-41-8 [RN]
kaempferol 7-O-(2-E-p-coumaroyl-α-L-rhamnopyranoside)
3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-α-L-mannopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL501872/
  • Miscellaneous

    • Chemical Class:

      A glycosyloxyflavone that consists of kaempferol attached to a 2-<stereo>E</stereo>-<ital>p</ital>-coumaroyl-<stereo>alpha</stereo>-<stereo>L</stereo>-rhamnopyranosyl moiety at position 7 via a glycos idic linkage. Isolated from the flowers and fruits of <ital>Tetrapanax papyriferus</ital>, it exhibits antineoplastic activity. ChEBI CHEBI:66134
      A glycosyloxyflavone that consists of kaempferol attached to a 2-E-p-coumaroyl-alpha-L-rhamnopyranosyl moiety at position 7 via a glycos; idic linkage. Isolated from the flowers and fruits of Tetrapan ax papyriferus, it exhibits antineoplastic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66134
      A glycosyloxyflavone that consists of kaempferol attached to a 2-E-p-coumaroyl-alpha-L-rhamnopyranosyl moiety at position 7 via a glycosidic linkage. Isolated from the flowers and fruits of Tetrapanax papyriferus, it exhibits antineoplastic activity. ChEBI CHEBI:66134

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

Density: 1.6±0.1 g/cm3
Boiling Point: 872.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.8±3.0 kJ/mol
Flash Point: 288.8±27.8 °C
Index of Refraction: 1.740
Molar Refractivity: 143.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 50.74
ACD/KOC (pH 5.5): 535.92
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 2.57
ACD/KOC (pH 7.4): 27.17
Polar Surface Area: 192 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 97.2±5.0 dyne/cm
Molar Volume: 355.2±5.0 cm3

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