natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD111048 | 3.12 | 620.82 | C35H56O9 | C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@@H]5C(C)(C)[C@@H](O[C@H]6OC[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 |
|
GD111049 | 3.12 | 620.82 | C35H56O9 | C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@@H]1[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)[C@H]5CC[C@H]4[C@]1(C)[C@H]3O |
|
GD111050 | 3.12 | 620.82 | C35H56O9 | C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@H]6OC[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 |
|
GD111052 | 3.47 | 570.95 | C27H26O7N2F3Cl | CC(=O)N(c1cc(Cl)c2nc(C)cc(C)c2c1Oc1cccc(C(F)(F)F)c1)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O |
|
GD111053 | 3.47 | 570.95 | C27H26O7N2F3Cl | CC(=O)N(c1cc(Cl)c2nc(C)cc(C)c2c1Oc1cccc(C(F)(F)F)c1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD111054 | 3.47 | 570.95 | C27H26O7N2F3Cl | CC(=O)N(c1cc(Cl)c2nc(C)cc(C)c2c1Oc1cccc(C(F)(F)F)c1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O |
|
GD111055 | 3.47 | 570.95 | C27H26O7N2F3Cl | CC(=O)N(c1cc(Cl)c2nc(C)cc(C)c2c1Oc1cccc(C(F)(F)F)c1)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O |
|
GD111056 | 3.11 | 524.56 | C26H36O11 | CCCCCCOc1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1 |
|
GD111057 | 3.11 | 524.56 | C26H36O11 | CCCCCCOc1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 |
|
GD111064 | 3.12 | 620.82 | C35H56O9 | C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@@H]1[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O |