aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21151 | 2.67 | 401.44 | C19H19O5N3S | Cn1c(COc2ccc(CC(SC(N)=O)C(=O)O)cc2)nc2ccc(O)cc21 |
|
AD21152 | 1.08 | 240.21 | C11H12O6 | COc1cc(OC)cc(OC(=O)CC(=O)O)c1 |
|
AD21153 | 0.37 | 273.34 | C12H13N6S | Nc1nc(C#CCN2CCSCC2)nc2c1N=C[N]2 |
|
AD21154 | 6.27 | 2377.03 | C116H111O32N19Cl4 | 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)NCCCn1cc(CNC(=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 |
|
AD21155 | 0.31 | 520.55 | C26H28O6N6 | CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2)C(N)=O |
|
AD21156 | 3.11 | 312.76 | C18H13O2N2Cl | O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccccc2c1=O |
|
AD21157 | 0.61 | 294.28 | C12H10N10 | C1=Nc2c(ncnc2NCCNc2ncnc3c2N=C[N]3)[N]1 |
|
AD21158 | 1.52 | 232.22 | C11H10O3N3 | COC(=O)COc1cccc(C2=C[N]N=N2)c1 |
|
AD21159 | 0.06 | 298.22 | C4H12O7P2S2 | COP(O)(=S)OCC(O)OP(O)(=S)OC |
|
AD21160 | 1.47 | 274.04 | C7H5ON3I | COc1ncnc2c1C(I)=C[N]2 |