ChemSpider 2D Image | asphodelin A-4'-O-beta-glucoside | C21H20O11

asphodelin A-4'-O-β-glucoside

  • Molecular FormulaC21H20O11
  • Average mass448.377 Da
  • Monoisotopic mass448.100555 Da
  • ChemSpider ID23278395
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

2H-1-Benzopyran-2-one, 3-[4-(β-D-glucopyranosyloxy)-2-hydroxyphenyl]-4,7-dihydroxy- [ACD/Index Name]
4-(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)-3-hydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)-3-hydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
asphodelin A-4'-O-β-glucoside
β-D-Glucopyranoside de 4-(4,7-dihydroxy-2-oxo-2H-chromén-3-yl)-3-hydroxyphényle [French] [ACD/IUPAC Name]
3-(2'-hydroxy-p-O-β-D-glucopyranosyloxyphenyl)-4,7-dihydroxy-2H-1-benzopyran-2-one
  • Miscellaneous
    • Chemical Class:

      A <stereo>beta</stereo>-<stereo>D</stereo>-glucoside in which a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue is attached at position 4' of asphodelin A via a glycosidic linkage. It is isolated from the roots of <ital>Asphodelus microcarpus</ital> and exhibits antimicrobial activity against bacteria like <ital>Staphylococcus aureus</ital>, <ital>Escherichia coli</ital> and <ital> Pseudomonas aeruginosa</ital> and fungal microorganisms like <ital>Candida albicans</ital> and <ital>Botrytis cinerea</ital>. ChEBI CHEBI:65454
      A beta-D-glucoside in which a beta-D-glucopyranosyl residue is attached at position 4' of asphodelin A via a glycosidic linkage. It ; is isolated from the roots of Asphodelus microcarpus and exhibits antimicrobial activity against bacteria like Staphylococcus aureus, Escherichia coli and ; Pseudomonas aeruginosa and fungal microorganisms like Candida albicans and Botrytis cinerea. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65454

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

Density: 1.7±0.1 g/cm3
Boiling Point: 827.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.1±3.0 kJ/mol
Flash Point: 293.2±27.8 °C
Index of Refraction: 1.751
Molar Refractivity: 105.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 105.3±3.0 dyne/cm
Molar Volume: 258.2±3.0 cm3

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