ChemSpider 2D Image | kaempferol 7-O-(2,3-di-E-p-coumaroyl-alpha-L-rhamnopyranoside) | C39H32O14

kaempferol 7-O-(2,3-di-E-p-coumaroyl-α-L-rhamnopyranoside)

  • Molecular FormulaC39H32O14
  • Average mass724.663 Da
  • Monoisotopic mass724.179199 Da
  • ChemSpider ID9782067

  • 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-2,3-bis-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-2,3-bis-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-L-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[6-deoxy-2,3-bis-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-2,3-bis-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]
kaempferol 7-O-(2,3-di-E-p-coumaroyl-α-L-rhamnopyranoside)
3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-2,3-bis-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-α-L-mannopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL451278/
  • Miscellaneous

    • Chemical Class:

      A glycosyloxyflavone that consists of kaempferol attached to a 2,3-di-<stereo>E</stereo>-<ital>p</ital>-coumaroyl-<stereo>alpha</stereo>-<stereo>L</stereo>-rhamnopyranosyl moiety at position 7. Isolat ed from the flowers and fruits of <ital>Tetrapanax papyriferus</ital>, it exhibits antineoplastic activity. ChEBI CHEBI:66133
      A glycosyloxyflavone that consists of kaempferol attached to a 2,3-di-E-p-coumaroyl-alpha-L-rhamnopyranosyl moiety at position 7. Isolat; ed from the flowers and fruits of Tetrapanax papyriferus, it exhibits antineoplastic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66133
      A glycosyloxyflavone that consists of kaempferol attached to a 2,3-di-E-p-coumaroyl-alpha-L-rhamnopyranosyl moiety at position 7. Isolated from the flowers and fruits of Tetrapanax papyriferus, it ex hibits antineoplastic activity. ChEBI CHEBI:66133

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

Density: 1.6±0.1 g/cm3
Boiling Point: 946.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.3±3.0 kJ/mol
Flash Point: 295.4±27.8 °C
Index of Refraction: 1.737
Molar Refractivity: 183.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 527.83
ACD/KOC (pH 5.5): 2863.00
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 26.43
ACD/KOC (pH 7.4): 143.35
Polar Surface Area: 219 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 93.7±5.0 dyne/cm
Molar Volume: 456.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement