Table 2.
C2–C1’ dihedral angles of molecules, their corresponding radicals and the difference between them (Δ).
| Flavonoid | θ C2–C1’ | θ● C2–C1’ | |||||||
|---|---|---|---|---|---|---|---|---|---|
| C2’ | C3’ | C4’ | C5’ | C3 | C5 | C7 | |||
| Flavones | Acacetin | −13.7 | 12.9 (Δ = −2.2) |
7.9 (Δ = −7.2) |
|||||
| Apigenin | −15.5 | −5.7 (Δ = + 9.8) |
−12.5 (Δ = + 3.0) |
−8.6 (Δ = −6.9) |
|||||
| Chrysin | 20.6 | 18.7 (Δ = −1.9) |
16.3 (Δ = −4.3) |
||||||
| Chrysoeriol | −16.9 | −3.7 (Δ = + 13.2) |
−18.3 (Δ = −1.4) |
−4.9 (Δ = + 12.0) |
|||||
| Diosmetin | 16.7 | 12.1 (Δ = −4.6) |
17.6 (Δ = + 0.9) |
9.9 (Δ = −6.8) |
|||||
| Genkwanin | −16.0 | −4.5 (Δ = + 11.5) |
−14.7 (Δ = + 1.3) |
||||||
| Luteolin | 15.9 | 23.5 (Δ = + 7.6) |
12.2 (Δ = −3.7) |
19.2 (Δ = + 3.3) |
8.3 (Δ = −7.6) |
||||
| Flavonols | Fisetin | 8.8 | 3.3 (Δ = −5.5) |
0.0 (Δ = −8.8) |
0.3 (Δ = −8.5) |
6.2 (Δ = −2.6) |
|||
| Galangin | −15.0 | 0.0 (Δ = + 15.0) |
−3.6 (Δ = + 11.4) |
−14.2 (Δ = + 0.8) |
|||||
| Kaempferol | −3.5 | 0.0 (Δ = + 3.5) |
0.0 (Δ = + 3.5) |
0.1 (Δ = + 3.6) |
−3.4 (Δ = + 0.1) |
||||
| Morin | 35.7 | 44.7 (Δ = + 9.0) |
32.6 (Δ = −3.1) |
0.0 (Δ = −35.7) |
34.4 (Δ = −1.3) |
33.2 (Δ = −2.5) |
|||
| Myricetin | −9.1 | −10.1 (Δ = −1.0) |
−2.5 (Δ = + 6.6) |
−5.3 (Δ = + 3.8) |
0.0 (Δ = + 9.1) |
−6.3 (Δ = + 2.8) |
−7.7 (Δ = + 1.4) |
||
| Quercetin | −8.5 | −10.5 (Δ = −2.0) |
0.0 (Δ = + 8.5) |
0.0 (Δ = + 8.5) |
−5.9 (Δ = + 2.6) |
−5.7 (Δ = + 2.8) |
|||