aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16111 | -1.82 | 672.72 | C31H41O8N8F | NC1CC(NC(=O)CCc2cn(CC(O)CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)nn2)C(O)C(O)C1O |
|
AD16112 | -1.18 | 642.69 | C30H39O7N8F | NC1CC(NC(=O)CCc2cn(CCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)nn2)C(O)C(O)C1O |
|
AD16113 | 1.18 | 262.25 | C14H8ON5 | Nc1nc(C#Cc2cccc(C=O)c2)nc2c1N=C[N]2 |
|
AD16114 | 1.2 | 676.89 | C34H64O11N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C(C)(O)CC(C)C(OCCNC=O)C(C)C(O)C1(C)O |
|
AD16115 | 1.25 | 306.27 | C15H14O7 | Oc1ccc(C2Oc3c(O)c(O)cc(O)c3CC2O)cc1O |
|
AD16116 | 2.15 | 320.38 | C18H18ON5 | CN(C(=O)CNc1ncnc2c1C(c1ccccc1)=C[N]2)C1CC1 |
|
AD16117 | 2.52 | 284.3 | C17H10N5 | Nc1nc(C#Cc2cccc3ccccc23)nc2c1N=C[N]2 |
|
AD16118 | 1.57 | 219.27 | C10H15N6 | CCC(CC)Nc1nc(N)c2c(n1)[N]C=N2 |
|
AD16119 | -5.31 | 2096.35 | C95H126O30N18S3 | COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(N(C(C)=O)C(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)CCS)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)CCS)C(C)O)CC2 |
|
AD16120 | -0.29 | 112.07 | C3H2O2N3 | O=[N+]([O-])C1=C[N]C=N1 |