Molecule ID: mol56
SMILES: CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O[C@@H](O)CC(C)C)[C@H](C)O3)[C@@H](N(C)C)[C@H]2O)[C@@H](CCO)C[C@@H](C)[C@H](O)CC[C@@H]2O[C@H]2C[C@@H](C)O[C@@H](O)C[C@H]1O[C@H](C)O
InChI: InChI=1S/C42H79NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h21-41,44-50H,12-20H2,1-11H3/t22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33-,34+,35+,36-,37-,38+,39-,40+,41+,42-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.61 | Settimo | 1 » 0 |