aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD07381 | 3.02 | 335.21 | C12H9N5SBr | Nc1nc2c(c(SCc3cccc(Br)c3)n1)N=C[N]2 |
|
AD07382 | -0.51 | 496.2 | C11H19O14N2P3 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O |
|
AD07383 | 0.8 | 332.38 | C18H22O5N | C=CC1C(O)OC=C(C(=O)OC)C1C=Cc1ccc[n+](CCO)c1 |
|
AD07384 | 5.08 | 474.73 | C30H50O4 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CO)C(O)C1O |
|
AD07385 | 3.48 | 407.84 | C21H16O2N6Cl | O=C(COc1ccc(Nc2nc(Cl)nc3c2N=C[N]3)cc1)NCc1ccccc1 |
|
AD07386 | 0.15 | 176.18 | C8H8ON4 | OCc1cn(-c2ccncc2)nn1 |
|
AD07387 | 1.65 | 401.51 | C22H31O4N3 | CCn1cc(C(=O)O)c(=O)c2cc(CCCN3CCN(CCCO)CC3)ccc21 |
|
AD07388 | 1.6 | 268.26 | C13H10O2N5 | C1=Nc2c(ncnc2NC2COc3ccccc3O2)[N]1 |
|
AD07389 | 2.62 | 269.33 | C14H11ON3S | O=C(NCc1cccnc1)c1ccc2scnc2c1 |
|
AD07390 | 2.45 | 526.71 | C29H50O8 | C=CC=CCCCCCCCCCC=CC(O)C(O)C1OC(C(O)C(O)C(=C)CCCO)CC(O)C1O |