aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14591 | 2.33 | 202.21 | C12H10O3 | COC(=O)c1ccc2ccccc2c1O |
|
AD14592 | 2.95 | 239.3 | C14H15N4 | CCCCc1cccc2c1-c1c(N)ncnc1[N]2 |
|
AD14593 | 2.44 | 849.93 | C45H55O15N | CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)C(C)C(C)O)c3ccccc3)C(C)=C1C2(C)C |
|
AD14594 | 0.43 | 230.25 | C11H12ON5 | CCc1ccc(NC2=N[N]C(C(N)=O)=N2)cc1 |
|
AD14595 | 2.78 | 179.63 | C10H8N2Cl | Cc1cc2c(cc1C)N=C(Cl)[N]2 |
|
AD14596 | 1.28 | 263.3 | C11H11O2N4S | COC(=O)C1=NC(Nc2ccc(SC)cc2)=N[N]1 |
|
AD14597 | -4.66 | 1720.05 | C81H130O21N20 | 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)C1CCCN1C(=O)CCNC(=O)C(Cc1ccccc1)N(C)C(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(N)=O |
|
AD14598 | 2.22 | 318.28 | C16H14O7 | COc1cc(O)c(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O |
|
AD14599 | 1.21 | 298.34 | C17H18O3N2 | O=C(NCC(O)CNC(=O)c1ccccc1)c1ccccc1 |
|
AD14600 | 2.09 | 627.69 | C27H36O5N7F3S | O=C(CCCCC1SCC2NC(=O)NC21)NCCCCC(NC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1)C(=O)NCCO |