Base information
| Cat. No. | |
| CAS No. | 58108-99-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H18O9 |
| Molecular Weight | 354.309 |
| Exact Mass | 354.095 |
| XLogP3 | -1.0143 |
| Mr | 83.6182 |
| PSA | 149.82 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 45 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)C)[C@@H]([C@H]([C@@H]1O)O)O |
