ChemSpider 2D Image | 2''-acetylpaeonoside | C29H32O17

2''-acetylpaeonoside

  • Molecular FormulaC29H32O17
  • Average mass652.554 Da
  • Monoisotopic mass652.163940 Da
  • ChemSpider ID26346497

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1206734-96-4 [RN]
2''-acetylpaeonoside
2-O-Acétyl-β-D-glucopyranoside de 7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
3-[(2-O-Acetyl-β-D-glucopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
4H-1-Benzopyran-4-one, 3-[(2-O-acetyl-β-D-glucopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
7-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
7-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-2-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
  • Miscellaneous

    • Chemical Class:

      A kaempferol <element>O</element>-glucoside that is the 2<apostrophe/><apostrophe/>-acetyl derivative of kaempferol-3-<element>O</element>-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl-7-<el ement>O</element>-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranoside (paeonoside). Isolated from <ital>Delphinium staphisagria</ital>, it exhibits trypanocidal activity. ChEBI CHEBI:67929
      A kaempferol O-glucoside that is the 2''-acetyl derivative of kaempferol-3-O-beta-D-glucopyranosyl-7-O-beta-D-glucopyranoside (paeonoside). Isolated from Delphinium staphisagria, it exhibits trypanoci dal activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67929, CHEBI:67929

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

Density: 1.8±0.1 g/cm3
Boiling Point: 982.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.0±3.0 kJ/mol
Flash Point: 319.8±27.8 °C
Index of Refraction: 1.725
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.39
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 272 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 111.2±5.0 dyne/cm
Molar Volume: 372.1±5.0 cm3

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