Base information
| Cat. No. | |
| CAS No. | 1393-72-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C32H31NaO14 |
| Molecular Weight | 662.57 |
| Exact Mass | 662.161 |
| XLogP3 | 1.808 |
| Mr | 158.758 |
| PSA | 210.55 |
| Sequence | - |
| Atom number | 78 |
| Bond number | 83 |
| Ring number | 7 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CO[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](O[C@@H]([C@@H]([C@@H]2O)O)C)Oc2cccc3c2c2oc(=O)c4c5c2c(c3[O-])c(=O)oc5ccc4C)O[C@@H]([C@@H]1O)C.[Na+] |