active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD012431 | 3.25 | 527.0 | C27H23O6N2ClS | CC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1 |
|
GD002880 | 1.7 | 572.41 | C22H30O8N5Br | CC(C)C(=O)OCC1OC(n2c(Br)nc3c(=O)[nH]c(N)nc32)C(OC(=O)C(C)C)C1OC(=O)C(C)C |
|
GD017561 | 5.77 | 572.75 | C35H44O5N2 | OCCCCCNCC1OC(OCCc2cc3ccccc3[nH]2)C(OCc2ccccc2)CC1OCc1ccccc1 |
|
GD000436 | 4.18 | 633.08 | C30H29O10N2ClS | CC(=O)OCC1OC(n2c(C)c(C(C)=O)c(-c3ccc(Cl)cc3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
|
GD025309 | 2.47 | 612.62 | C28H28O10N4S | COc1ccc(-c2c(C#N)c(N)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1 |
|
GD013918 | 3.08 | 420.48 | C21H24O7S | COC1CC(OS(=O)(=O)c2ccc(C)cc2)C(OC(=O)c2ccccc2)C(C)O1 |
|
GD010562 | 5.79 | 720.8 | C40H36O9N2S | CCOC(=O)C1=C(C)N(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(=S)NC1c1ccccc1 |
|
GD000225 | -1.9 | 941.04 | C41H72O20N4 | CCCCCCCCCCCCCC=C[C@H](O)[C@H](COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)N=[N+]=[N-] |
|
GD008620 | -2.2 | 1063.19 | C51H82O23 | CC(=O)[C@@H]1[C@H](OC(=O)CCC(C)COC2OC(CO)C(O)C(O)C2O)C[C@@H]2[C@@H]3CC=C4C[C@H](OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CC[C@@]4(C)[C@H]3CC[C@@]12C |
|
GD002663 | 4.7 | 1049.35 | C53H96O18N2 | CCCCCCCC(CC(=O)NC(CO)C(=O)NC(CO)CC(C)C)OC(=O)CC(CCCCCCC)OC(=O)CC(CCCCCCC)OC1OC(C)C(O)C(OC2OC(C)C(O)C(O)C2OC(C)=O)C1O |