active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD032571 | 3.26 | 1237.54 | C66H100O18N4 | CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)NCCN4CCCCC4)C(CC(OC4OC(C)C(O)C(N)C4O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1 |
|
GD021266 | 3.82 | 1119.24 | C55H74O17N8 | CC(=O)NC1C(OCc2ccccc2)OC(COC(=O)CCCCCCCCCCNC(=O)CCNc2ccc([N+](=O)[O-])c3[nH]c4ccc(O)cc4c(=O)c23)C(O)C1OC(C)C(=O)N[C@H](C(=O)N[C@H](CCC(=O)O)C(N)=O)C(C)C |
|
GD005221 | 6.86 | 830.88 | C45H34O7N8S | O=C(OCC1OC(n2nc(Cn3nnc(-c4cccnc4)n3)n(-c3cccc4ccccc34)c2=S)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1 |
|
GD005057 | 1.59 | 895.36 | C44H51O13N6Cl | COc1ccc2nc3cc(Cl)ccc3c(NCCC(=O)OCC(O)C(O)C(O[C@H](C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc3ccccc3)C(C=O)NC(C)=O)c2c1 |
|
GD003001 | 2.09 | 430.49 | C20H22O5N4S | Cc1c(N=Nc2ccccc2)c(C)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N |
|
GD005604 | -2.28 | 309.28 | C12H15O5N5 | NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12 |
|
GD003529 | -2.45 | 536.54 | C24H32O10N4 | COC(=O)c1ccc(CNC[C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H]2O)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)cc1 |
|
GD006823 | 5.51 | 725.17 | C36H33O11N2ClS | CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1-c1ccccc1 |
|
GD003360 | -2.88 | 617.4 | C18H29O15N5P2 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](OCCCO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
|
GD016380 | 2.54 | 540.55 | C25H24O8N4S | COc1ccc(-c2c(C#N)c(N)n(C3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1 |