aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22181 | 4.53 | 415.9 | C22H18O4NClS | CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(S)cc4Cl)oc23)CC1 |
|
AD22182 | 2.54 | 585.7 | C31H43O8N3 | C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O |
|
AD22183 | 4.23 | 633.75 | C32H36O4N7FS | O=C(CCCCn1cc(CCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1)Nc1ccc(S)cc1 |
|
AD22184 | 3.08 | 328.36 | C18H14N7 | Nc1nc(NN=Cc2ccc(-c3ccccc3)cc2)nc2c1N=C[N]2 |
|
AD22185 | 3.74 | 332.4 | C21H20O2N2 | CN(C)C(=O)c1ccc2c3c([nH]c2c1)C(C)(C)c1ccccc1C3=O |
|
AD22186 | 1.37 | 207.16 | C10H6O3NF | O=C(O)c1c[nH]c2ccc(F)cc2c1=O |
|
AD22187 | 1.28 | 229.19 | C11H6ON4F | O=c1c2c(ncn1-c1cccc(F)c1)[N]C=N2 |
|
AD22188 | 0.53 | 150.14 | C6H6ON4 | ONc1ncnn2cccc12 |
|
AD22189 | 0.75 | 155.2 | C6H7ON2S | CCSC1=NC(=O)C=C[N]1 |
|
AD22190 | 1.39 | 134.18 | C8H10N2 | C=NNCc1ccccc1 |