aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14301 | 1.42 | 161.19 | C8H9N4 | CCNc1nccc2c1N=C[N]2 |
|
AD14302 | 0.74 | 335.35 | C17H15O2N6 | Nc1nc(C#CNCCc2ccc(CC(=O)O)cc2)nc2c1N=C[N]2 |
|
AD14303 | 2.32 | 141.26 | C9H19N | CNC1CCCCCCC1 |
|
AD14304 | 0.83 | 151.12 | C7H5O3N | O=c1[nH]c2c(O)cccc2o1 |
|
AD14305 | -5.1 | 1752.09 | C82H134O22N20 | 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)C(C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C(C)O)C(N)=O |
|
AD14306 | 2.75 | 297.38 | C16H15ON3S | NC(=S)NN=C1CC(c2ccccc2)Oc2ccccc21 |
|
AD14307 | 1.43 | 463.41 | C15H22O8N5PS | CC(C)OC(=O)OCSP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)CC1O |
|
AD14308 | 1.74 | 166.59 | C8H5N3Cl | CC1=C[N]c2ncnc(Cl)c21 |
|
AD14309 | 1.47 | 208.27 | C8H10N5S | CC(C)Sc1nc(N)nc2c1N=C[N]2 |
|
AD14310 | -3.47 | 275.26 | C10H17O6N3 | NCCNC(=O)C1=CC(O)C(O)C(OCC(N)=O)O1 |