Base information
| Cat. No. | |
| CAS No. | 27539-32-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H33ClO15 |
| Molecular Weight | 645.006 |
| Exact Mass | 644.151 |
| XLogP3 | -3.4592 |
| Mr | 149.838 |
| PSA | 241.36 |
| Sequence | - |
| Atom number | 77 |
| Bond number | 80 |
| Ring number | 5 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | COc1cc(ccc1O)c1[o+]c2cc(O)cc(c2cc1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O.[Cl-] |