aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20621 | 2.5 | 260.45 | C13H28ON2S | NCCCCCCC(=O)NCCCCCCS |
|
AD20622 | 4.3 | 255.34 | C15H13ONS | Cc1ccccc1Cc1ncc(-c2ccco2)s1 |
|
AD20623 | 4.38 | 218.3 | C17H14 | c1ccc(Cc2ccc3cccc-3cc2)cc1 |
|
AD20624 | 4.68 | 316.49 | C20H32ON2 | CONCCCCCCCCC#CCCCCc1cccnc1 |
|
AD20625 | 3.96 | 394.47 | C23H26O4N2 | COC(=O)C1CCC(C)C(c2ccc(C)cc2)N1C(=O)c1ccc(C=NO)cc1 |
|
AD20626 | 3.61 | 776.84 | C43H44O10N4 | COC(=O)C(Cc1cn(C)c2ccccc12)NC(=O)C(Cc1cn(C)c2ccccc12)NC(=O)C(OC)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O |
|
AD20627 | -2.81 | 1473.69 | C74H100O18N14 | CC(=O)NC1C(NC(=O)CC2NC(=O)C(Cc3ccccc3)NC(=O)C(Cc3ccccc3)NC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)C(CC(C)C)NC(=O)C(CCCN)NC(=O)C(C(C)C)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CCC(N)=O)NC2=O)OC(CO)C(O)C1O |
|
AD20628 | 4.08 | 344.32 | C21H12O5 | COc1c(O)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=O |
|
AD20629 | 3.59 | 498.37 | C25H21O2N7Cl2 | NC(=O)C1(NO)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 |
|
AD20630 | 1.42 | 276.32 | C13H18O2N5 | CCCCCCCNc1nc(=O)c2c(c(=O)[nH]1)N=C[N]2 |