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Search term: GWBIGWXRXKMAOA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl]isoscoparin | C34H42O20

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

  • Molecular FormulaC34H42O20
  • Average mass770.685 Da
  • Monoisotopic mass770.226929 Da
  • ChemSpider ID30785637

  • 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-hydroxy-3-methoxyphenyl)-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-hydroxy-3-methoxyphenyl)-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-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-6-yl]-D-glucitol [French] [ACD/IUPAC Name]
7-O-[α-L-rhamnosyl-(1->2)-β-D-glucosyl]isoscoparin
D-Glucitol, 1,5-anhydro-1-C-[7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-, (1S)- [ACD/Index Name]
isoscoparin 7-O-rhamnosylglucoside
missing
  • Miscellaneous

    • Chemical Class:

      A <element>C</element>-glycosyl compound that is isoscoparin 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:75433
      A C-glycosyl compound that is isoscoparin in which the hydroxyl hydrogen at position 7 is replaced by an alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl moiety. ChEBI CHEBI:75433
      A C-glycosyl compound that is isoscoparin 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:75433

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1046.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.4±3.0 kJ/mol
Flash Point: 326.6±27.8 °C
Index of Refraction: 1.736
Molar Refractivity: 175.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.86
ACD/LogD (pH 7.4): -3.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 324 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 117.2±5.0 dyne/cm
Molar Volume: 436.3±5.0 cm3

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