Base information
| Cat. No. | |
| CAS No. | 1000995-48-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C39H42O14 |
| Molecular Weight | 734.742 |
| Exact Mass | 734.257 |
| XLogP3 | 0.9953 |
| Mr | 177.255 |
| PSA | 212.42 |
| Sequence | - |
| Atom number | 95 |
| Bond number | 104 |
| Ring number | 10 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1CCC(=O)OC/C=C(\C)/C(=O)OC[C@]2([C@@H]3CC4=C(CO1)C(=O)O[C@]14C4=C5[C@@](C[C@H]1[C@@]3(C)[C@H]1[C@@H]2C1)(O)[C@@H]1[C@H]([C@@]5([C@H]([C@@]2(C4=C(C)C(=O)O2)O)O)C)C1)O |
