ChemSpider 2D Image | Neoschaftoside | C26H28O14

Neoschaftoside

  • Molecular FormulaC26H28O14
  • Average mass564.492 Da
  • Monoisotopic mass564.147888 Da
  • ChemSpider ID390988

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-8-[(2R,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)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-8-[(2R,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)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]-4H-chromén-4-one (non-prefe rred name) [French] [ACD/IUPAC Name]
61328-41-4 [RN]
neo-Schaftoside
Neoschaftoside
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
8-??-?L-?arabinopyranosyl-?6-??-?D-?glucopyranosyl-?5,?7-?dihydroxy-?2-?(4-?hydroxyphenyl)?-4H-?1-?Benzopyran-?4-?one
apigenin 6-C-β-D-glucopyranosyl-8-C-β-L-arabinopyranoside
MFCD21333349

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

C10110 [DBID]
  • Miscellaneous

    • Chemical Class:

      A flavone <element>C</element>-glycoside that is apigenin attached to a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl and a <stereo>beta</stereo>-<stereo>L</stereo>-arabinopyranosyl residue s at positions 6 and 8 respectively via <element>C</element>-glycosidic linkage. ChEBI CHEBI:7513
      A flavone C-glycoside that is apigenin attached to a beta-D-glucopyranosyl and a beta-L-arabinopyranosyl residue; s at positions 6 and 8 respectively via C-glycosidic linkage. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:7513
      A flavone C-glycoside that is apigenin attached to a beta-D-glucopyranosyl and a beta-L-arabinopyranosyl residues at positions 6 and 8 respectively via C-glycosidic linkage. ChEBI CHEBI:7513

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

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