Base information
| Cat. No. | |
| CAS No. | 163397-38-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C19H20O12 |
| Molecular Weight | 440.355 |
| Exact Mass | 440.095 |
| XLogP3 | -0.8916 |
| Mr | 99.7969 |
| PSA | 196.35 |
| Sequence | - |
| Atom number | 51 |
| Bond number | 53 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | O[C@@H]1[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)O[C@H]([C@@H]([C@H]1O)O)Oc1c(C)occc1=O |
