aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13111 | -1.69 | 290.27 | C11H18O7N2 | CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O |
|
AD13112 | 1.75 | 285.22 | C12H10O2N3F3 | O=c1[nH]ccc(=NOCc2cccc(C(F)(F)F)c2)[nH]1 |
|
AD13113 | 0.96 | 229.27 | C11H13N6 | CCCCN1N=C(N)C2=C[N]c3ncnc1c32 |
|
AD13114 | 1.88 | 778.93 | C38H66O16 | CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(OC(CO)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)CCC |
|
AD13115 | 0.66 | 165.2 | C6H5N4S | Cc1nc(S)c2c(n1)[N]N=C2 |
|
AD13116 | 1.87 | 272.32 | C11H10N7S | CC(=NNc1nc(N)c2c(n1)[N]C=N2)c1cccs1 |
|
AD13117 | 9.3 | 675.75 | C43H29O2N7 | COC(=O)c1ccc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4ccncc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1 |
|
AD13118 | 0.1 | 89.09 | C3H7O2N | CCOC(N)=O |
|
AD13119 | -0.11 | 97.12 | C5H7ON | C#CCCC(N)=O |
|
AD13120 | 1.76 | 264.27 | C14H10ON5 | CONc1nc(C#Cc2ccccc2)nc2c1N=C[N]2 |