ChemSpider 2D Image | hydrangenol 4'-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside | C26H30O13

hydrangenol 4'-O-β-D-apiofuranosyl-(1->6)-β-D-glucopyranoside

  • Molecular FormulaC26H30O13
  • Average mass550.509 Da
  • Monoisotopic mass550.168640 Da
  • ChemSpider ID30785563

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-[4-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]phenyl]- [ACD/Index Name]
4-(8-Hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl)phenyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
4-(8-Hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl)phenyl-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 4-(8-hydroxy-1-oxo-3,4-dihydro-1H-isochromén-3-yl)phényle [French] [ACD/IUPAC Name]
hydrangenol 4'-O-β-D-apiofuranosyl-(1->6)-β-D-glucopyranoside
4-(8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl)phenyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-β-D-glucopyranoside
missing
  • Miscellaneous

    • Chemical Class:

      A member of the class of dihydroisocoumarins that is hydrangenol attached to a <stereo>beta</stereo>-<stereo>D</stereo>-apiofuranosyl-(1<arrow>right</arrow>6)-<stereo>beta</stereo>-<stereo>D</stereo> -glucopyranosyl residue at position 4<apostrophe/> via a glycosidic linkage. It has been isolated from the roots of <ital>Scorzonera judaica</ital>. ChEBI CHEBI:68134
      A member of the class of dihydroisocoumarins that is hydrangenol attached to a beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has been isolated from the roots of Scorzonera judaica. ChEBI CHEBI:68134
      A member of the class of dihydroisocoumarins that is hydrangenol attached to a beta-D-apiofuranosyl-(1right6)-beta-D; -glucopyranosyl residue at position 4' via a glycosidic linkage. It has been isol ated from the roots of Scorzonera judaica. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68134

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

Density: 1.6±0.1 g/cm3
Boiling Point: 895.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.4±3.0 kJ/mol
Flash Point: 301.4±27.8 °C
Index of Refraction: 1.704
Molar Refractivity: 129.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.10
ACD/KOC (pH 5.5): 37.26
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 37.11
Polar Surface Area: 205 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 98.4±5.0 dyne/cm
Molar Volume: 333.6±5.0 cm3

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