aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03321 | -0.33 | 237.98 | C4H3O2N2I | O=c1cc(I)[nH]c(=O)[nH]1 |
|
AD03322 | 1.52 | 366.48 | C15H30O6N2S | CCN(CC(=O)NC)C(=O)CCCCCCCCCOS(=O)(=O)O |
|
AD03323 | 2.43 | 200.25 | C10H6N3S | C1=Cc2c(ncnc2-c2ccsc2)[N]1 |
|
AD03324 | 2.93 | 228.66 | C13H7N3Cl | ClC1=C[N]c2ncnc(-c3ccccc3)c21 |
|
AD03325 | -1.15 | 126.09 | C4H4O2N3 | NC(=O)C1=C(O)[N]C=N1 |
|
AD03326 | 4.98 | 578.79 | C27H46O9S2 | CC(C)C(CCC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C)OS(=O)(=O)O |
|
AD03327 | 0.61 | 278.26 | C12H8N9 | Nc1nc(-n2cc(-c3ccncc3)nn2)nc2c1N=C[N]2 |
|
AD03328 | 2.45 | 230.3 | C12H22O4 | COC(=O)CCCCCCCCC(=O)OC |
|
AD03329 | 4.88 | 626.79 | C36H50O9 | CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(OC(C)=O)C(C)=CC(C(=O)O1)C34O)O2 |
|
AD03330 | 1.92 | 268.3 | C14H14ON5 | CC(Nc1ncnc2c1N=C[N]2)C(O)c1ccccc1 |