synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD106045 | -2.94 | 525.62 | C21H39O10N3S | CC(C)NC(=O)C[C@@H]1O[C@H](CN(C[C@H]2O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]2O)S(C)(=O)=O)[C@@H](O)[C@H]1O |
|
GD093604 | -2.85 | 485.53 | C22H35O9N3 | CC(=O)N(C[C@H]1O[C@@H](CC(=O)NC2CC2)[C@H](O)[C@@H]1O)C[C@H]1O[C@@H](CC(=O)NC2CC2)[C@H](O)[C@@H]1O |
|
GD106046 | -3.22 | 515.56 | C23H37O10N3 | COCC(=O)N(C[C@H]1O[C@@H](CC(=O)NC2CC2)[C@H](O)[C@@H]1O)C[C@H]1O[C@@H](CC(=O)NC2CC2)[C@H](O)[C@@H]1O |
|
GD106034 | -3.44 | 521.59 | C21H35O10N3S | CS(=O)(=O)N(C[C@H]1O[C@@H](CC(=O)NC2CC2)[C@H](O)[C@@H]1O)C[C@H]1O[C@@H](CC(=O)NC2CC2)[C@H](O)[C@@H]1O |
|
GD108563 | 1.37 | 640.59 | C32H32O14 | CO[C@H]1[C@H](O)[C@H](O[C@H]2[C@H](Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)O[C@H](C)[C@H](O)[C@@H]2O)O[C@@H](C)[C@H]1O |
|
GD109150 | 2.08 | 550.69 | C30H46O9 | CO[C@@H]1[C@H](O)[C@@H](O[C@H]2C[C@@H](O)[C@@]3(C)[C@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@H](C)[C@@H]1O |
|
GD113250 | 5.01 | 632.84 | C36H56O9 | C[C@@H]1[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C(=O)O)CC[C@@]2(C(=O)O)CC[C@H]1C |
|
GD113001 | 5.01 | 632.84 | C36H56O9 | C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C(=O)O)CC[C@@]2(C(=O)O)CC[C@H]1C |
|
GD113251 | 5.01 | 632.84 | C36H56O9 | C[C@@H]1[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C(=O)O)CC[C@@]2(C(=O)O)CC[C@H]1C |
|
GD113249 | 5.01 | 632.84 | C36H56O9 | C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C(=O)O)CC[C@@]2(C(=O)O)CC[C@H]1C |