aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17421 | 3.48 | 330.8 | C16H11ON4ClS | Oc1ccc(Cl)cc1C=Nn1c(S)nnc1-c1ccccc1 |
|
AD17422 | 1.21 | 224.21 | C11H12O5 | COc1ccc(COC(=O)CC(=O)O)cc1 |
|
AD17423 | 3.03 | 335.31 | C15H14N6F3 | CC(Cc1ccc(C(F)(F)F)cc1)Nc1nc(N)c2c(n1)[N]C=N2 |
|
AD17424 | 2.48 | 766.03 | C41H71O10N3 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCC(=O)NCCCc2ccccc2)C(C)C(O)C1(C)O |
|
AD17425 | 2.21 | 283.27 | C13H11O2N6 | Cc1cc(CNc2ncnc3c2N=C[N]3)ccc1[N+](=O)[O-] |
|
AD17426 | 2.55 | 266.31 | C13H8N5S | N#Cc1ccc(SCc2ncnc3c2N=C[N]3)cc1 |
|
AD17427 | 2.82 | 316.31 | C17H16O6 | COc1cc(O)c2c(c1)OC(c1ccc(O)c(OC)c1)CC2=O |
|
AD17428 | 2.9 | 403.47 | C22H23O2N6 | Nc1ncnc2c1N=C(NCc1ccc(-c3ccccc3)c(OCCCCO)c1)[N]2 |
|
AD17429 | 2.46 | 331.36 | C18H15ON6 | Nc1ncnc2c1N=C(NCc1ccc(-c3ccccc3)c(O)c1)[N]2 |
|
AD17430 | 1.24 | 386.36 | C14H10O9S2 | O=S(=O)([O-])Oc1ccc(C=Cc2cc(O)cc(OS(=O)(=O)[O-])c2)cc1 |