aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00391 | 1.24 | 273.29 | C14H15O3N3 | O=C(O)CCNCC(=O)Nc1cnc2ccccc2c1 |
|
AD00392 | 2.74 | 541.73 | C29H51O8N | CCC1OC1(C)C1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C(O2)C1C |
|
AD00393 | -1.2 | 262.25 | C10H12O2N7 | N=C(N)CCNC(=O)C1=C[N]c2nc(N)nc(O)c21 |
|
AD00394 | 3.26 | 384.59 | C13H8N5ClI | Clc1c(I)cccc1CNc1ncnc2c1N=C[N]2 |
|
AD00395 | -0.37 | 218.01 | C5H4O2N3Br | NC(=O)c1nc(Br)c[nH]c1=O |
|
AD00396 | 2.52 | 244.25 | C14H12O4 | O=C(O)COc1ccc(-c2ccccc2O)cc1 |
|
AD00397 | -0.91 | 111.01 | CH4O4P | COP(=O)([O-])O |
|
AD00398 | 1.49 | 309.25 | C13H10ON5F3 | Nc1nc2c(c(=O)[nH]1)[N+](Cc1cccc(C(F)(F)F)c1)=C[N]2 |
|
AD00399 | 3.28 | 263.32 | C12H13O2N3S | Cc1nc(NCc2ccc([N+](=O)[O-])cc2)sc1C |
|
AD00400 | 3.91 | 1211.64 | C62H59O17N8Cl | 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(c(C=Cc4ccccc4)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |