ChemSpider 2D Image | 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl]isovitexin | C33H40O19

7-O-[α-L-rhamnosyl-(1->2)-β-D-glucosyl]isovitexin

  • Molecular FormulaC33H40O19
  • Average mass740.659 Da
  • Monoisotopic mass740.216370 Da
  • ChemSpider ID30785638

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[7-{[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[7-{[2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[7-{[2-O-(6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-6-yl]-D-glucitol [French] [ACD/IUPAC Name]
7-O-[α-L-rhamnosyl-(1->2)-β-D-glucosyl]isovitexin
D-Glucitol, 1,5-anhydro-1-C-[7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-, (1S)- [ACD/Index Name]
isovitexin 7-O-rhamnosylglucoside
missing
  • Miscellaneous

    • Chemical Class:

      A <element>C</element>-glycosyl compound that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by an <stereo>alpha</stereo>-<stereo>L</stereo>-rhamnosyl-(1<arrow>right</arrow>2)- <stereo>beta</stereo>-<stereo>D</stereo>-glucosyl moiety. ChEBI CHEBI:75438
      A C-glycosyl compound that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by an alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl moiety. ChEBI CHEBI:75438
      A C-glycosyl compound that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by an alpha-L-rhamnosyl-(1right2)-; beta-D-glucosyl moiety. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75438

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1034.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.5±3.0 kJ/mol
Flash Point: 326.2±27.8 °C
Index of Refraction: 1.749
Molar Refractivity: 168.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.29
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 315 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 121.3±5.0 dyne/cm
Molar Volume: 414.9±5.0 cm3

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