Base information
| Cat. No. | |
| CAS No. | 185044-14-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C50H53O26+ |
| Molecular Weight | 1069.94 |
| Exact Mass | 1069.28 |
| XLogP3 | -0.7719 |
| Mr | 252.326 |
| PSA | 413.57 |
| Sequence | - |
| Atom number | 129 |
| Bond number | 136 |
| Ring number | 8 |
| Rotor number | 18 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](COC(=O)/C=C/c4ccc(c(c4)O)O)[C@H]([C@@H]([C@H]2O[C@@H]2O[C@H](COC(=O)c4ccc(cc4)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)c([o+]3)c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O |
