synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD111598 | 3.62 | 630.7 | C29H30O10N2S2 | CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3cccs3)C(=O)N2c2ccc(C)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109022 | 2.5 | 562.6 | C26H30O10N2S | CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109021 | 2.5 | 562.6 | C26H30O10N2S | CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109023 | 2.5 | 562.6 | C26H30O10N2S | CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109024 | 2.5 | 562.6 | C26H30O10N2S | CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111593 | 3.9 | 645.09 | C31H29O10N2ClS | CC(=O)OC[C@H]1O[C@@H](SC2=N/C(=C\c3ccc(Cl)cc3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111587 | 3.9 | 645.09 | C31H29O10N2ClS | CC(=O)OC[C@H]1O[C@H](SC2=N/C(=C\c3ccc(Cl)cc3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111597 | 3.9 | 645.09 | C31H29O10N2ClS | CC(=O)OC[C@H]1O[C@@H](SC2=N/C(=C\c3ccccc3Cl)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111588 | 3.9 | 645.09 | C31H29O10N2ClS | CC(=O)OC[C@H]1O[C@H](SC2=N/C(=C\c3ccccc3Cl)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110691 | 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 |