active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD011987 | 4.3 | 752.98 | C41H68O12 | COC(C)(C)[C@H](O)[C@@H]1C[C@H](C)[C@@]2(CC[C@]3(C)[C@H]2CC[C@@H]2[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]4C[C@H](OC4OC(COC(C)=O)C(O)C(O)C4O)[C@]23C)O1 |
|
GD003009 | 0.21 | 427.46 | C22H25O6N3 | Cc1cccc(-n2c(C)nc3ccc(NC4OC(CO)C(O)C(O)C4O)cc3c2=O)c1 |
|
GD030871 | 2.47 | 582.59 | C27H26O9N4S | CC(=O)OCC1OC(n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
|
GD007473 | 2.4 | 450.52 | C24H22O5N2S | N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c1=S |
|
GD014027 | 12.27 | 1231.46 | C58H104O16N8P2 | CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(COP(=O)(O)OCC(COP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])OCCCCCCCCCCCCCCCCCC)C(O)C2O)c(=O)n1 |
|
GD027744 | -4.65 | 1325.45 | C62H100O30 | CC1CC[C@]2(OC1)OC1C[C@@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(OC8OC(C)C(OC9OC(C)C(O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)CCC5(C)[C@H]4CCC3(C)C1[C@H]2C |
|
GD011578 | 3.2 | 605.56 | C32H23O8N5 | N#Cc1nn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c2nc[nH]c(=O)c12 |
|
GD000625 | -2.35 | 1079.24 | C52H86O23 | COC1(CC[C@H](C)COC2OC(CO)C(O)C(O)C2O)O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]2[C@H]1C |
|
GD016364 | -4.47 | 1339.48 | C63H102O30 | CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)[C@@]56CCC(C)(C)C[C@H]5C5=CCC7[C@]8(C)C[C@H](O)[C@H](OC9OC(CO)C(O)C(O)C9O)[C@](C)(CO)[C@H]8CC[C@@]7(C)[C@@]5(C)CC6)OCC(O)C4O)C(O)C3OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1O |
|
GD015338 | -1.55 | 520.54 | C24H32O9N4 | OCC1OC(OCC(O)C(O)C(O)C(C=NNc2ccccc2)=NNc2ccccc2)C(O)C(O)C1O |