aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05001 | 3.07 | 400.47 | C17H14O3N5S2 | COc1cccc2cc(CSc3nc(N)nc4c3N=C(SC)[N]4)c(=O)oc12 |
|
AD05002 | 6.41 | 586.81 | C35H54O7 | COC(=O)C1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)C(O)CC(OC(C)=O)C(C)(COC(C)=O)C5CCC43C)C2C1 |
|
AD05003 | 1.39 | 262.31 | C15H18O4 | CC1=CC(=O)C2=C(C)CC(O)C3C(C)C(=O)OC3C12 |
|
AD05004 | 1.09 | 1075.05 | C53H54O17N8 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(cc3)Oc3cc2cc(c3O)Oc2ccc(cc2)C1O |
|
AD05005 | 2.12 | 375.41 | C20H19O2N6 | Nc1ncnc2c1N=C(NCc1ccc(-c3ccccc3)c(OCCO)c1)[N]2 |
|
AD05006 | -9.74 | 3099.68 | C138H224O32N48S | CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)CCCC(=O)NCCCO)C(C)CC)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(C)C)C(=O)O |
|
AD05007 | -1.55 | 178.13 | C6H4O2N5 | NC1=C2C(=O)NC(=O)N=C2[N]C=N1 |
|
AD05008 | 2.88 | 284.27 | C16H12O5 | COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1 |
|
AD05009 | -0.69 | 188.17 | C8H6ON5 | Nc1nc(C#CCO)nc2c1N=C[N]2 |
|
AD05010 | -0.89 | 206.19 | C8H8O2N5 | CN(C)c1nc(=O)c2c(c(=O)[nH]1)N=C[N]2 |