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. 2021 Oct 7;26(19):6062. doi: 10.3390/molecules26196062

Table 1.

Average interaction energies of ionization states i1-4 of rutin with the aqueous environment (0.15 M NaCl). R represents the rutin glycon.

Ionization State Eint (kcal/mol)
i1 graphic file with name molecules-26-06062-i001.jpg −141.15
i2 graphic file with name molecules-26-06062-i002.jpg −283.72
i3 graphic file with name molecules-26-06062-i003.jpg −258.74
i4 graphic file with name molecules-26-06062-i004.jpg −259.89