Base information
| Cat. No. | |
| CAS No. | 28463-30-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C42H47ClO23 |
| Molecular Weight | 955.262 |
| Exact Mass | 954.22 |
| XLogP3 | -4.6136 |
| Mr | 220.886 |
| PSA | 378.04 |
| Sequence | - |
| Atom number | 113 |
| Bond number | 118 |
| Ring number | 7 |
| Rotor number | 13 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO[C@H]4O[C@@H](C)[C@@H]([C@H]([C@H]4O)O)OC(=O)/C=C/c4ccc(cc4)O)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O.[Cl-] |