aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16081 | 0.75 | 207.19 | C8H8N6F | CN(C)C=Nc1nc(F)nc2c1N=C[N]2 |
|
AD16082 | 5.91 | 472.67 | C29H44O5 | CC1(C(=O)O)CCC2(C(=O)O)CCC3(C)C(=CCC4C3CCC3C(C)(C)C(O)CCC43C)C2C1 |
|
AD16083 | -0.1 | 249.3 | C10H11ON5S | NC(=S)NNC(=O)Cn1cnc2ccccc21 |
|
AD16084 | 1.96 | 281.3 | C14H13ON6 | CC(=O)Nc1ccc(CNc2ncnc3c2N=C[N]3)cc1 |
|
AD16085 | 2.45 | 171.2 | C11H9ON | Oc1ccc(-c2ccncc2)cc1 |
|
AD16086 | -5.23 | 699.76 | C29H49O11N9 | CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(=O)O |
|
AD16087 | -1.27 | 196.23 | C5H12O4N2S | CCC(N)C(=O)NS(=O)(=O)OC |
|
AD16088 | 5.94 | 411.46 | C26H21O4N | CN(C(=O)Oc1ccc2c3c(oc2c1)C(C)(C)c1ccccc1C3=O)c1ccccc1 |
|
AD16089 | 4.44 | 417.42 | C24H19O6N | COc1ccc(C(=O)Nc2cc3ccc(O)c(C)c3oc2=O)cc1-c1cccc(O)c1 |
|
AD16090 | -2.2 | 355.34 | C16H21O8N | CC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(O)C(O)C(O)C(O)C1O |