aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16001 | 3.23 | 311.27 | C12H6ON4F3S | Oc1ncnc2c1N=C(Sc1cccc(C(F)(F)F)c1)[N]2 |
|
AD16002 | 0.56 | 280.28 | C14H16O6 | C=C(COC(=O)C=Cc1ccc(O)c(O)c1)C(O)CO |
|
AD16003 | 3.84 | 234.44 | C8H10S4 | SSCc1ccccc1CSS |
|
AD16004 | 0.96 | 269.31 | C14H15ON5 | CN(Cc1ccccc1)c1nc2c(c(=O)[nH]1)[N+](C)=C[N]2 |
|
AD16005 | 2.6 | 330.29 | C17H14O7 | COc1c(-c2ccc(O)cc2)oc2c(O)c(O)c(C)c(O)c2c1=O |
|
AD16006 | 2.55 | 200.24 | C13H12O2 | OCc1ccccc1-c1ccc(O)cc1 |
|
AD16007 | 2.55 | 390.43 | C21H26O7 | COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)cc(OC)c1O |
|
AD16008 | 0.27 | 149.24 | C4H7ONS2 | CN1CC(O)SC1=S |
|
AD16009 | 2.74 | 394.2 | C14H13ON5I | CC(Cc1ccc(O)c(I)c1)Nc1ncnc2c1N=C[N]2 |
|
AD16010 | 3.33 | 433.6 | C27H35O2N3 | Cc1ccccc1Cc1ccc(CCCC(=O)NC2(C(=O)N3CCN(C)CC3)CC2)cc1 |