aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22781 | 3.12 | 295.29 | C17H13O4N | CC(=O)Nc1ccc(-c2oc3ccccc3c(=O)c2O)cc1 |
|
AD22782 | 4.24 | 331.17 | C16H11O3Br | Cc1ccc2c(=O)c(O)c(-c3ccc(Br)cc3)oc2c1 |
|
AD22783 | 3.97 | 385.53 | C19H31O5NS | COS(=O)(=O)NC(=O)CCCCCCCCCCCOc1ccccc1 |
|
AD22784 | -4.72 | 919.11 | C39H70O13N10S | COCCOCCNC(=O)CCC(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(N)CS)C(C)C)C(C)O)C(C)C)C(=O)NC(C(=O)NC(C)C(N)=O)C(C)O |
|
AD22785 | 1.08 | 306.28 | C13H14O5N4 | COCc1cn(CC(=O)OCc2ccc([N+](=O)[O-])cc2)nn1 |
|
AD22786 | 0.42 | 292.25 | C12H12O5N4 | O=C(Cn1cc(CO)nn1)OCc1ccc([N+](=O)[O-])cc1 |
|
AD22787 | 4.73 | 300.37 | C18H10N3S | C1=Cc2c(ncnc2-c2cccc3c2sc2ccccc23)[N]1 |
|
AD22788 | 2.13 | 309.75 | C15H16O3N3Cl | COCc1cn(CC(=O)OCc2ccc(Cl)c(C)c2)nn1 |
|
AD22789 | 1.48 | 295.73 | C14H14O3N3Cl | Cc1cc(COC(=O)Cn2cc(CO)nn2)ccc1Cl |
|
AD22790 | 0.77 | 218.21 | C11H10O3N2 | CNc1c(Nc2cccc(O)c2)c(=O)c1=O |