ChemSpider 2D Image | 3S-hydrangenol 4'-O-alpha-L-rhamnopyranoysl-(1->3)-beta-D-glucopyranoside | C27H32O13

3S-hydrangenol 4'-O-α-L-rhamnopyranoysl-(1->3)-β-D-glucopyranoside

  • Molecular FormulaC27H32O13
  • Average mass564.535 Da
  • Monoisotopic mass564.184265 Da
  • ChemSpider ID26633642

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

1311319-71-7 [RN]
1H-2-Benzopyran-1-one, 3-[4-[[3-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]phenyl]-3,4-dihydro-8-hydroxy-, (3S)- [ACD/Index Name]
3-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 4-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromén-3-yl]phényle [French] [ACD/IUPAC Name]
3S-hydrangenol 4'-O-α-L-rhamnopyranoysl-(1->3)-β-D-glucopyranoside
4-[(3S)-8-Hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]phenyl 3-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
4-[(3S)-8-Hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]phenyl-3-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
missing
  • Miscellaneous

    • Chemical Class:

      A member of the class of dihydroisocoumarins that is hydrangenol attached to a 3-<element>O</element>-(6-deoxy-<stereo>alpha</stereo>-<stereo>L</stereo>-mannopyranosyl)-<stereo>beta</stereo>-<stere o>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:68124
      A member of the class of dihydroisocoumarins that is hydrangenol attached to a 3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has bee n isolated from the roots of Scorzonera judaica. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68124, CHEBI:68124

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

Density: 1.6±0.1 g/cm3
Boiling Point: 892.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.9±3.0 kJ/mol
Flash Point: 297.5±27.8 °C
Index of Refraction: 1.689
Molar Refractivity: 134.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.57
ACD/KOC (pH 5.5): 103.33
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.55
ACD/KOC (pH 7.4): 102.91
Polar Surface Area: 205 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 92.3±5.0 dyne/cm
Molar Volume: 351.1±5.0 cm3

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