aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00181 | 3.61 | 399.86 | C20H20O2N6Cl | O=C(COc1ccc(Nc2nc(Cl)nc3c2N=C[N]3)cc1)NC1CCCCC1 |
|
AD00182 | 3.75 | 485.27 | C19H14O2N6I | O=C(COc1ccc(Nc2ncnc3c2N=C[N]3)cc1)Nc1ccc(I)cc1 |
|
AD00183 | -0.81 | 161.2 | C7H15O3N | CC1OC(O)CC(C)(N)C1O |
|
AD00184 | 3.43 | 1125.93 | C55H50O16N8Cl2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC#N)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD00185 | 3.91 | 412.12 | C14H20O4Br2 | COc1cc(COC(C)C)c(Br)c(Br)c1OCCCO |
|
AD00186 | -1.86 | 425.39 | C19H23O10N | CC(O)CC(=O)COC1C(O)C(O)C(O)C2NC(=O)c3c(cc4c(c3O)OCO4)C21 |
|
AD00187 | 0.91 | 194.14 | C9H6O5 | O=c1c(O)coc2cc(O)cc(O)c12 |
|
AD00188 | 3.99 | 200.32 | C12H24O2 | CCCCCCCCCCCC(=O)O |
|
AD00189 | 3.39 | 199.34 | C12H25ON | CCCCCCCCCCCC(N)=O |
|
AD00190 | -1.56 | 96.99 | H2O4P | O=P([O-])(O)O |