aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42301 | 0.49 | 137.14 | C7H7O2N | NC(=O)c1ccccc1O |
|
AD42302 | 3.48 | 300.35 | C18H20O4 | CC1(C)CCc2cc3c4c(c(=O)oc3c(O)c2O1)CCCC4 |
|
AD42303 | 2.39 | 334.36 | C18H16O2N5 | OC(CNc1ncnc2c1N=C[N]2)COc1cccc2ccccc12 |
|
AD42304 | 3.19 | 328.32 | C18H16O6 | COc1cc2c(=O)c(-c3ccc(OC)c(OC)c3)coc2cc1O |
|
AD42305 | 2.68 | 322.37 | C16H12ON5S | Nc1nc2c(c(=O)[nH]1)N=C(SCc1cccc3ccccc13)[N]2 |
|
AD42306 | 2.83 | 341.2 | C14H8ON5Cl2S | Nc1nc2c(c(=O)[nH]1)N=C(SCc1ccc(Cl)c(Cl)c1)[N]2 |
|
AD42307 | 2.53 | 270.24 | C15H10O5 | O=c1cc(O)cc2oc(-c3ccc(O)cc3)cc(O)c1-2 |
|
AD42308 | 2.53 | 270.24 | C15H10O5 | O=c1cc(O)cc2occ(-c3ccc(O)cc3)c(O)c1-2 |
|
AD42309 | 1.94 | 324.34 | C16H16O2N6 | O=c1[nH]c(NNc2ccccc2)c(NNc2ccccc2)c(=O)[nH]1 |
|
AD42310 | 0.16 | 114.12 | CH6O4S | OCS(O)(O)O |