aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22301 | 8.26 | 2461.19 | C122H123O32N19Cl4 | 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(CCCCCNC(=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 |
|
AD22302 | 2.04 | 274.3 | C12H9N5FS | Nc1ncnc2c1C(SCc1cccc(F)c1)=N[N]2 |
|
AD22303 | 2.58 | 479.66 | C26H45O5N3 | COc1ccc(CC(CC(N)C(O)CC(C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)cc1O |
|
AD22304 | 4.84 | 290.36 | C20H18O2 | c1ccc(COc2cccc(OCc3ccccc3)c2)cc1 |
|
AD22305 | 3.41 | 269.35 | C14H13N4S | CC(C)(Sc1ncnc2c1N=C[N]2)c1ccccc1 |
|
AD22306 | 14.87 | 872.4 | C52H93O5N3S | CCCCCCCCCCCCCCCCOC(COCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1)OCc1cn(CCCCCCCCCCCCCCCCSC)nn1 |
|
AD22307 | 4.91 | 476.54 | C29H24O3N4 | O=C(Nc1cccc(O)c1)c1ccc(-c2ccc(C(=O)Nc3cccc(C4=NCCN4)c3)cc2)cc1 |
|
AD22308 | 1.11 | 382.41 | C17H20O2N9 | Nc1nc(NCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2c1N=C[N]2 |
|
AD22309 | 1.78 | 336.36 | C15H16N10 | C1=Nc2c(ncnc2NCCCCCNc2ncnc3c2N=C[N]3)[N]1 |
|
AD22310 | 1.87 | 167.25 | C10H17ON | C=CC(=O)NCC1CCCCC1 |