ChemSpider 2D Image | isovitexin 7-O-[isoferuloyl]-glucoside | C37H38O18

isovitexin 7-O-[isoferuloyl]-glucoside

  • Molecular FormulaC37H38O18
  • Average mass770.687 Da
  • Monoisotopic mass770.205811 Da
  • ChemSpider ID29368536

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[5-hydroxy-7-({6-O-[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]-L-idopyranosyl}oxy)-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5-hydroxy-7-({6-O-[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]-L-idopyranosyl}oxy)-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5-hydroxy-7-({6-O-[(2E)-3-(3-hydroxy-4-méthoxyphényl)-2-propenoyl]-L-idopyranosyl}oxy)-2-(4-hydroxyphényl)-4-oxo-4H-chromén-6-yl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[5-hydroxy-7-[[6-O-[(2E)-3-(3-hydroxy-4-methoxyphenyl)-1-oxo-2-propen-1-yl]-L-idopyranosyl]oxy]-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-, (1S)- [ACD/Index Name]
isovitexin 7-O-[isoferuloyl]-glucoside
(1S)-1,5-anhydro-1-[5-hydroxy-7-({6-O-[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]-D-glucopyranosyl}oxy)-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol
  • Miscellaneous

    • Chemical Class:

      A <element>C</element>-glycosyl compound that is isovitexin with the hydroxy group at position 7 replaced with a glucopyranosyl entity which in turn is substituted at position 6 by an isoferuloyl moie ty. ChEBI CHEBI:75371
      A C-glycosyl compound that is isovitexin with the hydroxy group at position 7 replaced with a glucopyranosyl entity which in turn is substituted at position 6 by an isoferuloyl moie; ty. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75371
      A C-glycosyl compound that is isovitexin with the hydroxy group at position 7 replaced with a glucopyranosyl entity which in turn is substituted at position 6 by an isoferuloyl moiety. ChEBI CHEBI:75371

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1065.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.5±3.0 kJ/mol
Flash Point: 331.2±27.8 °C
Index of Refraction: 1.714
Molar Refractivity: 186.4±0.3 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.85
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 292 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 90.3±3.0 dyne/cm
Molar Volume: 475.3±3.0 cm3

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