aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41001 | -0.37 | 355.86 | C14H18ON7ClS | S=C(NCCC[NH+]1CCOCC1)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD41002 | 1.11 | 312.39 | C18H22O2N3 | C[NH+]1CCN(C(=O)c2ccc(Nc3ccc(O)cc3)cc2)CC1 |
|
AD41003 | -1.85 | 319.45 | C18H29O2N3 | O=C(NCCO)C12CCC[NH2+]CC1C[NH+](Cc1ccccc1)C2 |
|
AD41004 | 1.49 | 283.32 | C14H15ON6 | O=C(C1CC1)N1CCC(=Nc2ncnc3c2N=C[N]3)CC1 |
|
AD41005 | 0.62 | 132.16 | C6H12O3 | CC(O)CCCC(=O)O |
|
AD41006 | 0.76 | 128.13 | C6H8O3 | CC1=C(O)C(=O)OC1C |
|
AD41007 | 0.32 | 132.16 | C6H12O3 | CCOC(=O)CC(C)O |
|
AD41008 | 0.32 | 144.17 | C7H12O3 | COC(=O)C1CCCC1O |
|
AD41009 | 0.32 | 132.16 | C6H12O3 | CCCOC(=O)C(C)O |
|
AD41010 | 0.32 | 144.17 | C7H12O3 | CCOC(=O)C1CC(O)C1 |