Molecule ID: mol19157
SMILES: CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6CN(CC(C)(C)O)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O
InChI: InChI=1S/C43H74N2O7/c1-11-49-36(39(7,8)48)28-20-26(2)33-34(51-28)35(46)41(10)30-13-12-29-38(5,6)31(14-15-42(29)24-43(30,42)17-16-40(33,41)9)52-32-23-45(18-19-50-32)27-21-44(22-27)25-37(3,4)47/h26-36,46-48H,11-25H2,1-10H3/t26-,28-,29+,30+,31+,32+,33+,34+,35+,36+,40-,41-,42-,43+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.10 | Baltruschat ChEMBL | 1 » 0 |