aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22081 | -1.28 | 136.14 | C5H6N5 | NC1=C2N=C[N]C2=NCN1 |
|
AD22082 | 1.72 | 200.26 | C9H12O3S | CCOS(=O)(=O)c1ccc(C)cc1 |
|
AD22083 | 2.32 | 542.54 | C28H30O11 | CCC1(O)CC(OC2CCC(O)C(C)O2)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O |
|
AD22084 | 3.58 | 256.3 | C16H16O3 | COc1ccc(C=Cc2cc(O)cc(OC)c2)cc1 |
|
AD22085 | 1.13 | 114.14 | C6H10O2 | C=CC(=O)OCCC |
|
AD22086 | 1.57 | 332.15 | C11H8N8Br | Nc1nc(NN=Cc2ccc(Br)cn2)nc2c1N=C[N]2 |
|
AD22087 | 1.29 | 277.27 | C13H9N8 | N#Cc1ccccc1C=NNc1nc(N)c2c(n1)[N]C=N2 |
|
AD22088 | 1.85 | 262.65 | C12H6N5FCl | Nc1ncnc2c1C(c1ccc(Cl)c(F)c1)=N[N]2 |
|
AD22089 | 2.54 | 387.46 | C20H21O5NS | CSCCC(N=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21)C(=O)O |
|
AD22090 | 8.16 | 717.22 | C43H37O7N2Cl | CN(Cc1ccc(Cc2ccccc2Cl)cc1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 |