active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD023623 | 4.43 | 766.94 | C33H24O7N6ClI | CNC(=O)C1OC(n2cnc3c(NC(=O)c4cccc(I)c4)nc(Cl)nc32)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1 |
|
GD009619 | -3.53 | 743.41 | C21H28O17N7P3 | NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@H]3O)[C@H](O)[C@H]2O)c1 |
|
GD000427 | 3.36 | 616.65 | C29H32O11N2S | C#CCONC(=O)O[C@@H]1[C@H](O)[C@H](Oc2ccc3c(O)c(C(C)=NOCc4ccsc4)c(=O)oc3c2C)OC(C)(C)[C@H]1OC |
|
GD004114 | 1.61 | 874.08 | C44H75O16N | CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H](C)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OC |
|
GD003999 | 3.81 | 592.6 | C31H32O10N2 | COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2C)OC1(C)C |
|
GD017529 | 0.46 | 506.46 | C23H26O11N2 | C#CCONC(=O)O[C@@H]1[C@H](O)[C@H](Oc2ccc3c(O)c(C(N)=O)c(=O)oc3c2C)OC(C)(C)[C@H]1OC |
|
GD001357 | 2.66 | 903.08 | C47H70O15N2 | CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CCN2C(=O)c3ccccc3C2=O)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OC |
|
GD010647 | 1.47 | 743.93 | C38H65O13N | CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H](CCO)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO |
|
GD021448 | 2.28 | 560.56 | C27H32O11N2 | C#CCONC(=O)O[C@@H]1[C@H](O)[C@H](Oc2ccc3c(=O)c(C(C)=NOC)c(O)oc3c2C)O[C@](C)(CC=C)[C@H]1OC |
|
GD016206 | -2.25 | 307.27 | C12H13O5N5 | N#Cc1cn(O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ncnc(N)c12 |