ChemSpider 2D Image | cudranian 1 | C28H26O12

cudranian 1

  • Molecular FormulaC28H26O12
  • Average mass554.499 Da
  • Monoisotopic mass554.142456 Da
  • ChemSpider ID28532959

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3,5-Dihydroxy-6-(4-hydroxybenzyl)-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-6-(4-hydroxybenzyl)-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(4-hydroxyphenyl)methyl]- [ACD/Index Name]
cudranian 1
β-D-Glucopyranoside de 3,5-dihydroxy-6-(4-hydroxybenzyl)-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
6-p-hydroxybenzyl kaempferol-7-O-β-D-glucopyranoside
  • Miscellaneous

    • Chemical Class:

      A flavonol 7-<element>O</element>-<stereo>beta</stereo>-<stereo>D</stereo>-glucoside that is kaempferol substituted by a <ital>p</ital>-hydroxybenzyl group at position 6 and a <stereo>beta</stereo>-<s tereo>D</stereo>-glucopyranosyl moiety at position 7 via a glycosidic linkage. It is isolated from the root barks of <ital>Cudrania tricuspidata</ital> and exhibits radical scavenging effects against 1, 1-diphenyl-2-picrylhydrazyl (DPPH) and anti-lipid peroxidation efficacy on human low-density lipoprotein by TBARS assay. ChEBI CHEBI:65687
      A flavonol 7-O-beta-D-glucoside that is kaempferol substituted by a p-hydroxybenzyl group at position 6 and a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It is isolated from t he root barks of Cudrania tricuspidata and exhibits radical scavenging effects against 1, 1-diphenyl-2-picrylhydrazyl (DPPH) and anti-lipid peroxidation efficacy on human low-density lipoprotein by TB ARS assay. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65687, CHEBI:65687

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

Density: 1.6±0.1 g/cm3
Boiling Point: 902.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.5±3.0 kJ/mol
Flash Point: 302.8±27.8 °C
Index of Refraction: 1.747
Molar Refractivity: 136.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.73
ACD/KOC (pH 5.5): 66.11
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.36
Polar Surface Area: 207 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 97.0±3.0 dyne/cm
Molar Volume: 336.0±3.0 cm3

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