Base information
| Cat. No. | |
| CAS No. | 16727-02-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C32H39ClO20 |
| Molecular Weight | 779.093 |
| Exact Mass | 778.172 |
| XLogP3 | -6.6776 |
| Mr | 172.684 |
| PSA | 331.51 |
| Sequence | - |
| Atom number | 92 |
| Bond number | 96 |
| Ring number | 6 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2ccc(c(c2)O)O)O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O.[Cl-] |
