ChemSpider 2D Image | Diosmin | C28H32O15


  • Molecular FormulaC28H32O15
  • Average mass608.545 Da
  • Monoisotopic mass608.174133 Da
  • ChemSpider ID4444932
  • defined stereocentres - 10 of 10 defined stereocentres

More details:

Featured data source

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

208-289-7 [EINECS]
4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-α-L-mannopyranosyl)-β- D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-
4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)- [ACD/Index Name]
520-27-4 [RN]
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]

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

AIDS059330 [DBID]
AIDS-059330 [DBID]
C10039 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      C05CA03 Wikidata Q2607865
    • Target Organs:

      Norepinephrine TargetMol T0878
    • Chemical Class:

      A disaccharide derivative that consists of diosmetin substituted by a 6-<element>O</element>-(<stereo>alpha</stereo>-<stereo>L</stereo>-rhamnopyranosyl)-<stereo>beta</stereo>-<stereo>D</stereo>-gluco pyranosyl moiety at position 7 via a glycosidic linkage. ChEBI CHEBI:4631
    • Compound Source:

      Isol. from Zanthoxylum avicennae, Diosma crenulata and others, first isol. from parsley Zerenex Molecular [ZBioX-0688]
    • Bio Activity:

      Bioflavonoid; Zerenex Molecular [ZBioX-0688]
      Endocrinology/ Hormones TargetMol T0878
      norepinephrine TargetMol T0878

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

Density: 1.7±0.1 g/cm3
Boiling Point: 926.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.2±3.0 kJ/mol
Flash Point: 305.2±27.8 °C
Index of Refraction: 1.712
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.54
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.26
Polar Surface Area: 234 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 101.3±5.0 dyne/cm
Molar Volume: 361.9±5.0 cm3

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