ChemSpider 2D Image | Viscumneoside III | C27H32O15

Viscumneoside III

  • Molecular FormulaC27H32O15
  • Average mass596.534 Da
  • Monoisotopic mass596.174133 Da
  • ChemSpider ID29415768

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2S)-5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
118985-27-6 [RN]
2-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de (2S)-5-hydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[[2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]-, (2S)- [ACD/Index Name]
Viscumneoside III
(2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-β-D-glucopyranoside
(2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-β-D-apiofuranosyl-β-D-glucopyranoside
(2S)-7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
homoeriodictyol-7-O-β-D-apiosyl-(1->;2)-β-D-glucopyranoside
  • Miscellaneous

    • Chemical Class:

      A viscumneoside that is homoeriodictyol in which the hydroxy group at position 7 has been converted into the corresponding beta-D-glucopyranoside, the 2-hydroxy group of which has been converted to it s beta-D-apiofuranoside derivative. Found in Viscum coloratum, an evergreen hemiparasitic plant whose stems and leaves are used in traditional Chinese medicine for the treatment of rheumatism. ChEBI CHEBI:132857
      A viscumneoside that is homoeriodictyol in which the hydroxy group at position 7 has been converted to the corresponding <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranoside, the 2-hydroxy group o f which has been converted to its <stereo>beta</stereo>-<stereo>D</stereo>-apiofuranoside derivative. Found in <ital>Viscum coloratum</ital>, an evergreen hemiparasitic plant whose stems and leaves ar e used in traditional Chinese medicine for the treatment of rheumatism. ChEBI CHEBI:132857
      A viscumneoside that is homoeriodictyol in which the hydroxy group at position 7 has been converted to the corresponding beta-D-glucopyranoside, the 2-hydroxy group o; f which has been converted to it s beta-D-apiofuranoside derivative. Found in Viscum coloratum, an evergreen hemiparasitic plant whose stems and leaves ar; e used in traditional Chinese medicine for the treatment of rheumatism. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132857

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

Density: 1.7±0.1 g/cm3
Boiling Point: 955.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.7±3.0 kJ/mol
Flash Point: 316.6±27.8 °C
Index of Refraction: 1.710
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.38
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.38
Polar Surface Area: 234 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 104.3±5.0 dyne/cm
Molar Volume: 351.9±5.0 cm3

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