synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD112308 | 4.09 | 592.77 | C33H52O9 | CC[C@@H]1CCC[C@H](O)[C@H](C)C(=O)[C@@H]2C[C@@H]3[C@H](C=C[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 |
|
GD112305 | 4.09 | 592.77 | C33H52O9 | CC[C@@H]1CCC[C@H](O)[C@H](C)C(=O)[C@@H]2C[C@H]3[C@@H]4C[C@@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@@H]5OC)C[C@H]4C=C[C@@H]3[C@H]2CC(=O)O1 |
|
GD104037 | 1.43 | 479.57 | C19H29O9NS2 | CCN(CC)C(=S)S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD104038 | 1.43 | 479.57 | C19H29O9NS2 | CCN(CC)C(=S)S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD104039 | 1.43 | 479.57 | C19H29O9NS2 | CCN(CC)C(=S)S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD107893 | 1.39 | 540.57 | C22H24O10N2S2 | CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C\c3cccs3)C(=O)N2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD107892 | 1.39 | 540.57 | C22H24O10N2S2 | CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C\c3cccs3)C(=O)N2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD107891 | 1.39 | 540.57 | C22H24O10N2S2 | CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C/c3cccs3)C(=O)N2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD107894 | 1.39 | 540.57 | C22H24O10N2S2 | CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C/c3cccs3)C(=O)N2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110730 | 3.26 | 640.67 | C31H32O11N2S | COc1ccc(/C=C2\N=C(S[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)N(c3ccccc3)C2=O)cc1 |