synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD105524 | 4.22 | 464.64 | C27H44O6 | CC/C(C)=C/C(=O)O[C@@H]1[C@H](O[C@]2(C)CC[C@@H]3[C@H]([C@H]4[C@@H]2CC[C@H]4C)C3(C)C)O[C@H](C)[C@@H](O)[C@@H]1O |
|
GD062184 | 0.31 | 333.43 | C16H31O6N | CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O |
|
GD109742 | 2.25 | 822.94 | C42H62O16 | CC1(C)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 |
|
GD109741 | 2.25 | 822.94 | C42H62O16 | CC1(C)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C |
|
GD062383 | -1.49 | 351.35 | C14H25O9N | CO[C@H]1O[C@H](COC(=O)CNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)[C@H]1O |
|
GD092229 | -1.75 | 428.55 | C22H38O7N | C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@H]3C[C@@H]12 |
|
GD092230 | -1.75 | 428.55 | C22H38O7N | C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@H]3C[C@@H]12 |
|
GD092228 | -1.75 | 428.55 | C22H38O7N | C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@H]3C[C@@H]12 |
|
GD107501 | 0.47 | 591.59 | C27H29O12NS | COC(=O)[C@H](CCSC)NC(=O)[C@@H]1O[C@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@H]1O |
|
GD107503 | 0.47 | 591.59 | C27H29O12NS | COC(=O)[C@H](CCSC)NC(=O)[C@@H]1O[C@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@H](O)[C@H]1O |