aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09431 | 1.88 | 334.34 | C17H14O2N6 | O=C1C(=NNc2ccccc2)c2ccccc2N1Cc1cn(O)nn1 |
|
AD09432 | 0.19 | 271.28 | C13H13O2N5 | CN(C)c1ccc2nc3c(=O)[nH]c(=O)nc-3n(C)c2c1 |
|
AD09433 | -0.15 | 150.12 | C5H4ON5 | Nc1ncnc2c1N=C(O)[N]2 |
|
AD09434 | -0.97 | 130.19 | C5H14N4 | CN(C)CCNC(=N)N |
|
AD09435 | 3.11 | 709.75 | C39H39O10N3 | COC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(OC)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O |
|
AD09436 | 2.5 | 547.72 | C28H41O6N3S | NCCOCCOCCOCCNS(=O)(=O)c1ccc(OC2c3ccccc3CC2N2CCCCC2)cc1 |
|
AD09437 | 4.44 | 318.46 | C20H30O3 | CC12CCC3C(CCC4C(C)(C(=O)O)CCCC34C)(CC1=O)C2 |
|
AD09438 | 2.67 | 482.92 | C23H27O8N2Cl | COCCOCOC(=O)c1cn(C2CC2)c2cc(Cl)c(NCCOCCC(=O)O)cc2c1=O |
|
AD09439 | 2.59 | 394.81 | C19H19O6N2Cl | O=C(O)CCOCCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl |
|
AD09440 | 2.67 | 259.22 | C13H9O5N | O=C(O)c1cc(-c2ccccc2O)cc([N+](=O)[O-])c1 |