Table 3.
Interglycosidic interproton [Å] distances for the CPS Ia pentasaccharide (1).
|
|
NMR |
MD |
|||
|---|---|---|---|---|---|
|
|
|
total average |
180/−30 |
−60/20 |
−60/−50 |
|
H3Gal‐H3eqNeuNAc |
none |
4.2 |
3.4 |
4.4 |
4.6 |
|
H3Gal‐H3axNeuNAc |
2.7 |
3.6 |
2.1 |
4.3 |
4.0 |
|
H3Gal‐H8NeuNAc |
very weak |
3.9 |
4.8 |
3.7 |
3.4 |
|
H1Gal‐H4GlcNAc |
2.4 |
2.4 |
|
|
|
|
H1Gal‐H6GlcNAc |
2.7 |
3.0 |
|
|
|
|
H1Gal‐H6'GlcNAc |
3.1 |
3.9 |
|
|
|
|
H1Glc‐H4Gal |
2.6 |
2.5 |
|
|
|
|
H1GlcNAc‐H3Gal |
2.5 |
2.4 |
|||