aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD07741 | 1.36 | 226.22 | C11H8ON5 | C1=Nc2c(COc3ccccn3)ncnc2[N]1 |
|
AD07742 | 0.14 | 277.33 | C12H19ON7 | CNc1nc(NCCN2CCOCC2)c2nc[nH]c2n1 |
|
AD07743 | 0.55 | 468.5 | C20H20O4N8S | CC1=C(N)C(=O)c2c(COC(N)=O)c3n(c2C1=O)CC(N)C3Sc1ncnc2c1ncn2C |
|
AD07744 | 0.36 | 103.12 | C4H9O2N | CCNC(=O)OC |
|
AD07745 | 1.39 | 253.29 | C13H13N6 | Cc1cccc(CNC2=Nc3c(N)ncnc3[N]2)c1 |
|
AD07746 | 1.58 | 240.25 | C12H10ON5 | [NH-]c1nc2c(c(=O)[nH]1)[N+](Cc1ccccc1)=C[N]2 |
|
AD07747 | 2.16 | 436.46 | C22H28O9 | COc1cc(C2OC(c3cc(OC)c(O)c(OC)c3)C(CO)C2CO)cc(OC)c1O |
|
AD07748 | 3.67 | 267.33 | C17H17O2N | COc1ccc(CCc2c[nH]c3cccc(O)c23)cc1 |
|
AD07749 | 3.99 | 528.75 | C32H50O5N | CC1(C)CCC2(C(=O)NCC(=O)[O-])CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD07750 | 0.52 | 137.1 | C5H2N4F | Fc1ncnc2c1N=C[N]2 |