Base information
| Cat. No. | |
| CAS No. | 185044-15-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C53H57O27+ |
| Molecular Weight | 1126 |
| Exact Mass | 1125.31 |
| XLogP3 | -0.3637 |
| Mr | 268.528 |
| PSA | 422.8 |
| Sequence | - |
| Atom number | 137 |
| Bond number | 144 |
| Ring number | 8 |
| Rotor number | 20 |
| 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)/C=C/c4ccc(c(c4)OC)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 |
