Exploration of CH⋯π mediated stacking interactions in saccharide: aromatic residue complexes through conformational sampling

► Many more ways of stacking interaction are possible than H-bonding. ► Saccharides use a wide variety of apolar patches for stacking. ► Chair to skew-boat distortion increases the repertoire of apolar patches. ► Configurational changes cause dramatic changes in stacking preferences. ► The skew-boat form of α-d-Man showed highest diversity of apolar patch.