aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22091 | 2.45 | 452.45 | C22H22O6N5 | CCOC(=O)C1=C(C)Oc2nc(C)n(CC3=C[N]N=N3)c(=O)c2C1c1ccc(O)c(OC)c1 |
|
AD22092 | 2.97 | 215.21 | C12H9O3N | O=[N+]([O-])c1cccc(-c2ccccc2O)c1 |
|
AD22093 | 7.14 | 2551.27 | C125H129O35N19Cl4 | CNC(CC(C)C)C(=O)NC1Cc2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C3NC(=O)C(CC(=O)O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NCCCCCc1cn(CCOCCOCCOCCNC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C5NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CC(C)C)NC)Cc6ccc(c(Cl)c6)Oc6cc5cc(c6O)Oc5ccc(cc5Cl)C4O)c4ccc(O)c(c4)-c4c(O)cc(O)cc43)nn1)NC2=O |
|
AD22094 | 2.59 | 300.27 | C16H12O6 | COc1cc(O)c(O)cc1-c1coc2cc(O)ccc2c1=O |
|
AD22095 | 2.44 | 293.34 | C14H15O4NS | COc1cccc(O)c1-c1cccc(NS(C)(=O)=O)c1 |
|
AD22096 | 3.29 | 352.39 | C21H20O5 | O=C(O)Cc1ccc(OCC(O)COc2cccc3ccccc23)cc1 |
|
AD22097 | -0.82 | 201.17 | C7H5N8 | Nc1ncnc2c1C(c1c[nH]nn1)=N[N]2 |
|
AD22098 | 0.26 | 166.19 | C5H4N5S | Nc1nc(S)nc2c1N=C[N]2 |
|
AD22099 | 1.19 | 248.24 | C12H12O4N2 | COc1ccc2oc(=O)c(C(C)=NN)c(O)c2c1 |
|
AD22100 | 0.07 | 203.23 | C9H11N6 | Nc1ncnc2c1C(N1CCCC1)=N[N]2 |