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
      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 an timicrobial activity against bacteria like Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa and fungal microorganisms like Candida albicans and Botrytis cinerea. ChEBI CHEBI:65454

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

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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