ChemSpider 2D Image | tricin 7-O-(6''-O-malonyl)-beta-D-glucopyranoside | C26H26O15

tricin 7-O-(6''-O-malonyl)-β-D-glucopyranoside

  • Molecular FormulaC26H26O15
  • Average mass578.476 Da
  • Monoisotopic mass578.127197 Da
  • ChemSpider ID58827383

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-(carboxyacetyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(2-Carboxyacétyl)-β-D-glucopyranoside de 5-hydroxy-2-(4-hydroxy-3,5-diméthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
tricin 7-O-(6''-O-malonyl)-β-D-glucopyranoside
β-D-Glucopyranoside, 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, 6-(2-carboxyacetate) [ACD/Index Name]
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside
7-O-[(6''-O-malonyl)-β-D-glucopyranosyl]tricin
7-O-[(6''-O-malonyl)-β-D-glucosyl]tricin
tricin 7-(6-malonylglucoside)
tricin 7-O-(6''-O-malonyl)-β-D-glucoside
  • Miscellaneous

    • Chemical Class:

      A glycosyloxyflavone that is 3',5'-di-<element>O</element>-methyltricetin (tricin) having a 6-<element>O</element>-malonyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosyl residue attached at the 7- hydroxy position ChEBI CHEBI:131768
      A glycosyloxyflavone that is 3',5'-di-O-methyltricetin (tricin) having a 6-O-malonyl-beta-D-glucosyl residue attached at the 7-; hydroxy position ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:131768
      A glycosyloxyflavone that is 3',5'-di-O-methyltricetin (tricin) having a 6-O-malonyl-beta-D-glucosyl residue attached at the 7-hydroxy position ChEBI CHEBI:131768

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

Density: 1.6±0.1 g/cm3
Boiling Point: 907.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.2±3.0 kJ/mol
Flash Point: 303.5±27.8 °C
Index of Refraction: 1.656
Molar Refractivity: 132.7±0.3 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 80.4±3.0 dyne/cm
Molar Volume: 361.3±3.0 cm3

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