Base information
| Cat. No. | |
| CAS No. | 77734-91-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C129H223N3O54 |
| Molecular Weight | 2680.14 |
| Exact Mass | 2678.48 |
| XLogP3 | -7.1575 |
| Mr | 665.755 |
| PSA | 1026.18 |
| Sequence | - |
| Atom number | 409 |
| Bond number | 418 |
| Ring number | 10 |
| Rotor number | 82 |
| Residues number | 0 |
| Canonical smiles | OCCCNC(=O)/C=C/NC(=O)C(C(CC(/C=C(/C(C(CC1OC(C(C(C(C(C(CCCCCC(CC2OC3(OC2(C)CC(C3)C)CCCCCCCC(CC2OC(O)(CC(C(/C=C/C(CCC(C(C3CC(O)C(C(O3)CC(C(CC3OC(CC(/C=C/C=C/CC(C(C(C/C=C/C(=C)CCC(C(C(C(CC4OC(/C=C/C(C(CC5CC6CC(O5)C(O6)CCC5OC(CC5O)CN)O)O)C(C(C4O)O)O)C)O)O)O)O)O)O)O)C(C(C3O)O)O)O)O)O)O)O)O)C)O)C(C(C2O)O)O)O)C)O)O)O)O)O)C(C(C1O)O)O)O)O)\C)O)C)O |
