Skip to main content
. 2020 Mar 23;35(1):786–804. doi: 10.1080/14756366.2020.1740923

Table 3.

Hydrogens’ distances (presenting tr-NOE signals) in their best pose conformations in Sudlow’s I cavity.

Molecule in Sudlow’s I cavity Hydrogens presenting tr-NOE signals Strength of NOEs Hydrogen distances (Å)
Rosmarinic acid H6 H7a s 2.45
H6 H7b m 3.63
H2 H7a m 3.72
H2 H7b s 2.53
H8 H6 w 4.44
H8 H2 w 4.10
H8’ H2’ s 2.24
H8’ H6’ w 4.60
Caffeic acid H3 H5 s 2.63
H3 H9 m 3.83
Salvianic acid H5 H3a m 3.56
H5 H3b s 2.40
H9 H3a s 2.60
H9 H3b m 3.75