ChemSpider 2D Image | Isoschaftoside | C26H28O14

Isoschaftoside

  • Molecular FormulaC26H28O14
  • Average mass564.492 Da
  • Monoisotopic mass564.147888 Da
  • ChemSpider ID2341980

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 6-α-L-arabinopyranosyl-8-β-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-4H-chromen-4-one
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-on (non-prefer red name) [German] [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-one (non-prefe rred name) [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphényl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]-4H-chromén-4-one (non-prefe rred name) [French] [ACD/IUPAC Name]
52012-29-0 [RN]
iso-Schaftoside
Isoschaftoside
[52012-29-0] [RN]
5,7,4'-Trihydroxy-6-C-arabinoside-8-C-glucoside flavone
More...

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

H27X8715V3 [DBID]
UNII:H27X8715V3 [DBID]
UNII-H27X8715V3 [DBID]
  • Miscellaneous

    • Chemical Class:

      A <element>C</element>-glycosyl compound that is apigenin substituted at positions 6 and 8 by <stereo>alpha</stereo>-<stereo>L</stereo>-arabinopyranosyl and <stereo>beta</stereo>-<stereo>D</stereo>-gl ucosyl residues respectively. ChEBI CHEBI:75589
      A C-glycosyl compound that is apigenin substituted at positions 6 and 8 by alpha-L-arabinopyranosyl and beta-D-gl; ucosyl residues respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75589
      A C-glycosyl compound that is apigenin substituted at positions 6 and 8 by alpha-L-arabinopyranosyl and beta-D-glucosyl residues respectively. ChEBI CHEBI:75589

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

Density: 1.8±0.1 g/cm3
Boiling Point: 935.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.5±3.0 kJ/mol
Flash Point: 314.3±27.8 °C
Index of Refraction: 1.759
Molar Refractivity: 131.3±0.3 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.04
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.97
ACD/LogD (pH 7.4): -2.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 247 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 112.7±3.0 dyne/cm
Molar Volume: 319.5±3.0 cm3

Click to predict properties on the Chemicalize site


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