active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD001022 | 3.32 | 599.76 | C31H53O10N | CC(=O)OC[C@@H]1O[C@H](OCCCCCCCCCCCCCCC(C)C(=O)C2=C(O)N(C)C(C)C2=O)[C@H](O)[C@H](O)[C@H]1O |
|
GD024658 | 0.08 | 913.69 | C30H42O18N7P3S | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OP(=O)(O)O)[C@H](O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)cc1 |
|
GD035076 | 0.03 | 754.54 | C28H32O15N6P2 | NC(=O)c1cc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)ccc1Oc1ccccc1 |
|
GD020103 | -0.43 | 307.31 | C14H17O5N3 | COc1ccc(-c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)nn2)cc1 |
|
GD020021 | -0.38 | 283.31 | C11H13O4N3S | OC[C@@H]1O[C@H](n2cc(-c3ccsc3)nn2)[C@H](O)[C@H]1O |
|
GD014944 | 2.0 | 409.46 | C23H25O5N2 | COc1ccc2[nH]c3c(C)c4cc[n+](C5OCC(O)C(O)C5O)cc4c(C)c3c2c1 |
|
GD019927 | 2.75 | 557.73 | C29H51O9N | CC(CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)C1=C(O)N(C)C(C)C1=O |
|
GD020477 | 0.22 | 421.48 | C19H29O5N6 | CC1(C)CC(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)CC(C)(C)N1[O] |
|
GD004586 | -0.54 | 464.38 | C21H20O12 | O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 |
|
GD014048 | 5.31 | 856.1 | C45H77O14N | CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@H](OC(=O)C(C)C)[C@]1(C)OC(=O)C(C)C |