aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09321 | 0.08 | 201.17 | C8H5ON6 | Nc1ncnc2c1C(c1ncon1)=C[N]2 |
|
AD09322 | 1.45 | 196.19 | C10H6N5 | C1=Nc2c(ncnc2-c2ccccn2)[N]1 |
|
AD09323 | 3.91 | 320.85 | C17H17ON2ClS | CC1(C)CC(=O)C2=C(C1)N=C(S)NC2c1ccc(Cl)cc1 |
|
AD09324 | 2.3 | 346.29 | C17H14O8 | COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O |
|
AD09325 | 1.47 | 429.38 | C21H19O9N | O=C1C(O)CCCN1Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 |
|
AD09326 | 0.01 | 187.19 | C8H7N6 | C#CCNc1nc(N)c2c(n1)[N]C=N2 |
|
AD09327 | 8.63 | 524.83 | C35H56O3 | CC1(C)CCC2(C(=O)OC3CCCC3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD09328 | 2.19 | 320.38 | C18H18ON5 | CC(Nc1ncnc2c1C(c1ccccc1)=C[N]2)C(=O)NC1CC1 |
|
AD09329 | 4.48 | 392.58 | C24H40O4 | CC(CCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C |
|
AD09330 | 5.34 | 1671.0 | C82H131O25N11 | CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)OC(Cc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN2C(=O)C=CC2=O)nn1)c1ccc(O)c([N+](=O)[O-])c1)C(C)C |