Base information
| Cat. No. | |
| CAS No. | 79114-77-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H25O8- |
| Molecular Weight | 417.429 |
| Exact Mass | 417.155 |
| XLogP3 | 1.1639 |
| Mr | 106.276 |
| PSA | 128.51 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 57 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | COc1cc(ccc1O)C[C@H]1CO[C@H]([C@]1(CO)CC(=O)[O-])c1ccc(c(c1)OC)O |
