ChemSpider 2D Image | petiolaroside | C27H30O16


  • Molecular FormulaC27H30O16
  • Average mass610.518 Da
  • Monoisotopic mass610.153381 Da
  • ChemSpider ID29273176
  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

18016-58-5 [RN]
4H-1-Benzopyran-4-one, 7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5-hydroxy- [ACD/Index Name]
7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
7-[(6-Desoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Quercetin 3-O-glucoside 7-O-rhamnoside
β-D-Glucopyranoside de 7-[(6-désoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphényl)-5-hydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
  • Miscellaneous
    • Chemical Class:

      A quercetin <element>O</element>-glucoside that is quercetin attached to <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue at position 3 and a <stereo>alpha</stereo>-<stereo>L</stereo> -rhamnopyranosyl residue at position 7 via glycosidic linkages. Isolated from the aerial parts of <ital>Delphinium staphisagria</ital>, it exhibits trypanocidal activity. ChEBI CHEBI:67931
      A quercetin O-glucoside that is quercetin attached to beta-D-glucopyranosyl residue at position 3 and a alpha-L; -rhamnopyranosyl residue at position 7 via glycosidic linkages. Isolated from the aer ial parts of Delphinium staphisagria, it exhibits trypanocidal activity. ChEBI

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 999.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.7±3.0 kJ/mol
Flash Point: 330.7±27.8 °C
Index of Refraction: 1.765
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.03
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.68
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 125.2±5.0 dyne/cm
Molar Volume: 334.2±5.0 cm3

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