aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23181 | 1.51 | 246.32 | C7H10O2N4S2 | CNS(=O)(=O)c1ccc(CCN=[N+]=[N-])s1 |
|
AD23182 | 2.76 | 466.47 | C23H24O6N5 | CCOC(=O)C1=C(C)Oc2nc(C)n(CC3=C[N]N=N3)c(=O)c2C1c1cc(OC)cc(OC)c1 |
|
AD23183 | 6.04 | 405.65 | C21H43O4NS | CCCCCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC |
|
AD23184 | 3.72 | 389.49 | C18H28O5NFS | COS(=O)(=O)NC(=O)CCCCCCCCCCOc1cccc(F)c1 |
|
AD23185 | -0.1 | 374.43 | C17H30O7N2 | CCCNC(=O)CCNC(=O)C(O)C(C)(C)COC(=O)CCC(=O)OC |
|
AD23186 | 7.7 | 512.78 | C33H52O4 | COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC5OC(C)OCC5(C)C4CCC3(C)C1(C)CC2 |
|
AD23187 | 5.7 | 724.75 | C40H34O7N7 | O=C(NCCCCCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)c1ccc(CNc2ncnc3c2N=C[N]3)cc1 |
|
AD23188 | 3.66 | 289.72 | C15H11N4FCl | CC(Nc1nc(Cl)nc2c1C=C[N]2)c1cccc(F)c1 |
|
AD23189 | 2.61 | 222.27 | C9H10ON4S | [N-]=[N+]=NCCC(=O)Nc1ccc(S)cc1 |
|
AD23190 | 1.88 | 398.5 | C21H34O7 | CC1=CCC(OC(=O)CC(C)(O)CC(=O)O)C2(C)C(O)CC(C(C)C)C(O)C12 |