Base information
| Cat. No. | |
| CAS No. | 199329-67-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H22O12 |
| Molecular Weight | 406.339 |
| Exact Mass | 406.111 |
| XLogP3 | -0.8205 |
| Mr | 91.3486 |
| PSA | 174.35 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 49 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC(=O)[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)cc3C)[C@@H]([C@H]([C@@H]1O)O)O.O.O.O |
