Base information
| Cat. No. | |
| CAS No. | 55028-57-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C33H41ClO20+ |
| Molecular Weight | 793.12 |
| Exact Mass | 792.188 |
| XLogP3 | -3.1283 |
| Mr | 175.474 |
| PSA | 327.6 |
| Sequence | - |
| Atom number | 95 |
| Bond number | 100 |
| Ring number | 6 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H](O[C@H]2[C@@H](OC([C@H]([C@@H]2O)O)CO[C@@]2(Cl)O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O[C+]2=C(Oc3c(C2)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
