Conformational analysis
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Karplus-type equation for vicinal carbon-proton coupling constants for the C-S-C-H pathway in 1-thioglycosidesTvaroska I, Mazeau K, Blanc-Muesser M, Lavaitte S, Driguez H, Taravel FR; Carbohydr Res 229 (1992) 225-231 AbstractThe Karplus-type relationship for 3JCSCH values and glycosidic dihedral angles in 1-thioglycosides, based on 3JC,H values for a series of conformationally rigid derivatives, is in the form 3JC,H=4.44 cos2(phi)-1.06 cos (phi)+0.45, with J(O)=3.83, J(60)=1.03, and J(180)=5.95 Hz Equation3J=4.44*cos2(θ)-1.06*cos(θ)+0.45
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