aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22451 | 2.6 | 160.22 | C11H12O | CC(=O)C=Cc1ccc(C)cc1 |
|
AD22452 | -0.03 | 107.54 | C4H6ONCl | CNC(=O)CCl |
|
AD22453 | 3.39 | 547.63 | C30H29O7NS | O=C(OCCS(=O)(=O)c1ccccc1)N1c2ccccc2C23OC24CCCC3(COCO)C#CCCC#CC14 |
|
AD22454 | 4.49 | 585.56 | C30H30O2N6Cl2S | CNC(=O)c1ccn(Cc2cc(Cl)c(CN3CSCC3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)n1 |
|
AD22455 | 6.16 | 485.56 | C30H28O4NF | COc1cccc(-c2cc(C(=O)NCCc3ccc(O)c(C)c3-c3cccc(F)c3)ccc2OC)c1 |
|
AD22456 | 5.56 | 487.53 | C29H26O5NF | COc1cccc(-c2cc(C(=O)NCCc3c(O)cc(O)cc3-c3cccc(F)c3)ccc2OC)c1 |
|
AD22457 | 1.72 | 188.23 | C11H12ON2 | NCc1nc(Cc2ccccc2)co1 |
|
AD22458 | 0.68 | 141.09 | C4H6ONF3 | CC(NC=O)C(F)(F)F |
|
AD22459 | -0.26 | 342.74 | C15H15O6N2Cl | NC(=O)COC1OC(C(=O)Nc2ccc(Cl)cc2)=CC(O)C1O |
|
AD22460 | 2.34 | 204.23 | C9H6ON3S | CSc1ncnc2c1-c1occc1[N]2 |