Table 1.
Running coordination number (RCN) of the studied Oxygen sites of the different flavonoids as obtained from MD and MD (in parentheses). See Figure 2 for atom labeling.
Site | L | K | Q | M |
---|---|---|---|---|
O1 | 1.1 (1.5) | 1.4 (1.6) | 1.0 (1.6) | 1.2 (1.5) |
O2 | 1.3 (1.9) | 1.6 (1.7) | 1.2 (1.8) | 1.0 (1.6) |
O3 | 1.8 (1.6) | 1.4 (1.1) | 1.4 (1.2) | 1.3 (1.2) |
O4 | – (–) | 1.1 (1.3) | 1.1 (1.4) | 0.8 (1.1) |
O5 | 1.0 (1.4) | – (–) | – (–) | 0.9 (1.2) |
O6 | 0.9 (1.3) | 1.3 (1.7) | 0.9 (1.0) | 0.2 (0.5) |
O7 | – (–) | – (–) | 1.0 (1.4) | 1.1 (1.3) |