aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16631 | 0.17 | 285.26 | C13H11O3N5 | Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccc(C(=O)O)cc1)=C[N]2 |
|
AD16632 | 1.4 | 150.18 | C9H10O2 | OCC=Cc1ccc(O)cc1 |
|
AD16633 | 1.26 | 247.64 | C12H6O2N3Cl | N#Cc1c(-c2ccc(Cl)cc2)[nH]c(=O)[nH]c1=O |
|
AD16634 | 3.84 | 502.69 | C30H46O6 | CC1(C)CCC23C(=O)OC4(C5OC5C5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1 |
|
AD16635 | 1.29 | 193.25 | C8H9N4S | CSCCc1ncnc2c1N=C[N]2 |
|
AD16636 | 3.95 | 237.75 | C13H12NClS | CCc1cnc(Cc2ccccc2Cl)s1 |
|
AD16637 | 0.24 | 187.59 | C7H6O2N3Cl | COc1cnc(C(N)=O)c(Cl)n1 |
|
AD16638 | 4.04 | 400.43 | C22H24O7 | CCCC(=O)Oc1ccc(C(=O)c2c(O)cc(OC)cc2OC(=O)CCC)cc1 |
|
AD16639 | 2.48 | 344.32 | C18H16O7 | COc1cc(O)c(C(=O)c2ccc(OC(C)=O)cc2)c(OC(C)=O)c1 |
|
AD16640 | 5.81 | 500.55 | C30H28O7 | COc1ccc(COc2ccc(C(=O)c3c(O)cc(OC)cc3OCc3ccc(OC)cc3)cc2)cc1 |