Base information
| Cat. No. | |
| CAS No. | 551-15-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H22O9 |
| Molecular Weight | 418.394 |
| Exact Mass | 418.126 |
| XLogP3 | 0.2774 |
| Mr | 101.67 |
| PSA | 145.91 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 55 |
| Ring number | 4 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3c(O2)cc(cc3)O)[C@@H]([C@H]([C@@H]1O)O)O |
