aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09671 | 0.57 | 451.48 | C24H25O6N3 | O=C(Cc1ccc(-c2ccccc2)cc1)NCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1 |
|
AD09672 | 1.21 | 220.25 | C10H8O2N2S | O=c1cc(Sc2ccccc2)[nH]c(=O)[nH]1 |
|
AD09673 | 3.03 | 276.39 | C13H18N5S | Nc1nc(SCCC2CCCCC2)nc2c1N=C[N]2 |
|
AD09674 | 4.9 | 371.47 | C22H23N6 | C1=Nc2c(nc(NC3CCCCC3)nc2NCc2cccc3ccccc23)[N]1 |
|
AD09675 | 4.84 | 610.79 | C36H50O8 | CC1=CCC2CC(CC3(C=CC(C)C(C4CCCCC4)O3)O2)OC(=O)C2C=C(C)C(O)C3OCC(=CC=CC(C)C1O)C23O |
|
AD09676 | 0.97 | 390.39 | C20H22O8 | COC(=O)C1=COC(O)C2C(C)C(OC(=O)C=Cc3ccc(O)cc3)C(O)C12 |
|
AD09677 | 2.48 | 232.24 | C13H12O4 | COc1cc(O)cc(-c2ccc(O)c(O)c2)c1 |
|
AD09678 | -0.45 | 75.11 | C3H9ON | CCNCO |
|
AD09679 | 2.13 | 413.4 | C16H13O4N8S | Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ncnc4c3N=C[N]4)cc2)no1 |
|
AD09680 | -5.92 | 1665.96 | C77H124O21N20 | CC(C)CC(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)N(C)C(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(N)=O |