aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13711 | 0.05 | 284.25 | C13H10O3N5 | COc1ccc(C2=Nc3c(c(=O)[nH]c(N)nc3=O)[N]2)cc1 |
|
AD13712 | 4.03 | 544.69 | C31H44O8 | CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(O)c(O)c4C)C3(C)C(=O)CC12C |
|
AD13713 | 1.32 | 152.19 | C9H12O2 | OCCCc1ccc(O)cc1 |
|
AD13714 | 1.7 | 224.25 | C12H10N5 | Cc1ccc(C2=Nc3c(N)ncnc3[N]2)cc1 |
|
AD13715 | -2.48 | 2175.77 | C105H132O29N21Cl | CCCC(=O)NC(CC(N)=O)C(=O)NCC1C(=O)NC(c2ccc(O)cc2)C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(c2ccc(O)cc2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c2ccc(O)c(Cl)c2)C(=O)OC1C(N)=O |
|
AD13716 | -1.75 | 166.12 | C5H4O2N5 | Nc1nc2c(c(=O)[nH]1)C(=O)N[N]2 |
|
AD13717 | 1.72 | 300.3 | C14H14O3N5 | COc1cc(O)cc(OC)c1CNc1ncnc2c1N=C[N]2 |
|
AD13718 | 3.56 | 364.39 | C17H18ON9 | O=C(NN=Nc1nc2c(c(NC3CCCC3)n1)N=C[N]2)Nc1ccccc1 |
|
AD13719 | 1.25 | 286.31 | C14H16O2N5 | Nc1nc(C#CCCOC2CCCCO2)nc2c1N=C[N]2 |
|
AD13720 | -8.78 | 1619.75 | C70H110O26N18 | CCC(C)C(NCC(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)CCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(O)CN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(C(=O)O)C(C)O |