aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21041 | 0.54 | 235.27 | C10H15ON6 | Nc1nc(NCCCCCO)nc2c1N=C[N]2 |
|
AD21042 | 2.75 | 221.3 | C13H19O2N | CC(C)(C)OC(=O)NCCc1ccccc1 |
|
AD21043 | 1.96 | 377.53 | C21H35O3N3 | CC(C)CC(NC(=O)CC(O)C(N)CC(C)C)C(=O)NCc1ccccc1 |
|
AD21044 | 3.64 | 318.33 | C20H14O4 | COc1cccc2c1C(=O)c1ccc3cc(C)cc(O)c3c1C2=O |
|
AD21045 | 2.94 | 255.3 | C13H9ON3S | O=C(Nc1cccc2cccnc12)c1cscn1 |
|
AD21046 | 1.89 | 253.29 | C13H13N6 | Cc1cccc(CNc2nc(N)c3c(n2)[N]C=N3)c1 |
|
AD21047 | -2.48 | 1458.93 | C43H59O28N20P5 | Cn1c(N)nc2c(ncn2C2CC(OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3OP(=O)(O)OCC3OC(n4cnc5c4N=CNC5N)CC3OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3OP(=O)(O)OCCO)C(COP(=O)(O)O)O2)c1=O |
|
AD21048 | 3.21 | 365.15 | C13H10ON4I | COc1ccc(Nc2ncnc3c2C(I)=C[N]3)cc1 |
|
AD21049 | 2.41 | 406.38 | C19H23O6N2P | COP(=O)(NCC(=O)OCc1ccccc1)NCC(=O)OCc1ccccc1 |
|
AD21050 | 4.77 | 455.45 | C24H26O6NP | COc1ccc(OP(=O)(NC(Cc2ccccc2)C(=O)OCc2ccccc2)OC)cc1 |