Molecule ID: mol16

SMILES: CN1CC[C@]23c4c5ccc(O[C@H]6OC(C(=O)O)[C@@H](O)[C@@H](O)C6O)c4O[C@@H]2[C@H](O)C=C[C@H]3[C@H]1C5

InChI: InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12+,15+,16-,17?,19?,20+,22-,23-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.86 Settimo 1 » 0
8.21 Settimo 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization