ChemSpider 2D Image | Pinocembrin 7-rhamnosylglucoside | C27H32O13

Pinocembrin 7-rhamnosylglucoside

  • Molecular FormulaC27H32O13
  • Average mass564.535 Da
  • Monoisotopic mass564.184265 Da
  • ChemSpider ID390892

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S)-5-Hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-5-Hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
13241-31-1 [RN]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (2S)-5-hydroxy-4-oxo-2-phényl-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-phenyl-, (2S)- [ACD/Index Name]
Pinocembrin 7-rhamnosylglucoside
(2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
4H-1-BENZOPYRAN-4-ONE,7-[[2-O-(6-DEOXY- R-L-MANNOPYRANOSYL)-&ACIRC
-D-GLUCOPYRANOSYL]- OXY]-2,3-DIHYDRO-5-HYDROXY-2-PHENYL-,(2S)-
Pinocembrin 7-O-neohesperidoside

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

C09828 [DBID]
  • Miscellaneous

    • Chemical Class:

      A flavanone glycoside that is pinocembrin attached to a 2-O-(6-deoxy-<stereo>alpha</stereo>-<stereo>L</stereo>-mannopyranosyl)-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue at posit ion 7 via a glycosidic linkage. ChEBI CHEBI:8222
      A flavanone glycoside that is pinocembrin attached to a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at posit; ion 7 via a glycosidic linkage. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8222
      A flavanone glycoside that is pinocembrin attached to a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. ChEBI CHEBI:8222

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

Density: 1.6±0.1 g/cm3
Boiling Point: 882.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.3±3.0 kJ/mol
Flash Point: 294.1±27.8 °C
Index of Refraction: 1.689
Molar Refractivity: 134.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.46
ACD/KOC (pH 5.5): 84.13
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 30.59
Polar Surface Area: 205 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 92.3±5.0 dyne/cm
Molar Volume: 351.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement