ChemSpider 2D Image | Carlinoside | C26H28O15

Carlinoside

  • Molecular FormulaC26H28O15
  • Average mass580.492 Da
  • Monoisotopic mass580.142822 Da
  • ChemSpider ID390981

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-on (non-pr eferred name) [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-one (non-p referred name) [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]-4H-chromén-4-one (non-p referred name) [French] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-one (non-preferred name)
59952-97-5 [RN]
Carlinoside
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-4H-chromen-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
4H-1-Benzopyran-4-one, 8-α-L-arbinopyranosyl-2-(3,4-dihydroxyphenyl)-6-β-D-gucopyranosyl-5,7-dihydroxy-
6-C-β-D-glucosyl-8-C-α-L-arabinopyranosylluteolin
More...

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

C10026 [DBID]
  • Miscellaneous

    • Chemical Class:

      A <element>C</element>-glycosyl compound that is luteolin substituted at positions 8 and 6 by <stereo>alpha</stereo>-<stereo>L</stereo>-arabinopyranosyl and <stereo>beta</stereo>-<stereo>D</stereo>-gl ucosyl residues respectively. ChEBI CHEBI:3421
      A C-glycosyl compound that is luteolin substituted at positions 8 and 6 by alpha-L-arabinopyranosyl and beta-D-gl; ucosyl residues respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3421
      A C-glycosyl compound that is luteolin substituted at positions 8 and 6 by alpha-L-arabinopyranosyl and beta-D-glucosyl residues respectively. ChEBI CHEBI:3421

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

Density: 1.8±0.1 g/cm3
Boiling Point: 978.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.3±3.0 kJ/mol
Flash Point: 327.5±27.8 °C
Index of Refraction: 1.778
Molar Refractivity: 133.2±0.3 cm3
#H bond acceptors: 15
#H bond donors: 11
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.13
ACD/LogD (pH 7.4): -2.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 267 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 121.8±3.0 dyne/cm
Molar Volume: 318.0±3.0 cm3

Click to predict properties on the Chemicalize site


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