Molecule ID: mol80
SMILES: COC1CC(OC2C(C)C(O)OC(C)C(C)C(O)C(C)C(=O)C3(CO3)CC(C)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1O
InChI: InChI=1S/C35H63NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,33-34,37-39,41H,12-15H2,1-11H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.84 | Settimo | 1 » 0 |