aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14511 | -0.01 | 145.16 | C6H11O3N | CNC(=O)CCCC(=O)O |
|
AD14512 | -2.4 | 1012.1 | C51H57O10N13 | CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(Cc2ccc3nc(C=C(c4ccccc4)c4ccccc4)oc3c2)NC1=O |
|
AD14513 | 4.3 | 222.74 | C13H11ClS | Cc1ccc(Cc2ccsc2Cl)cc1 |
|
AD14514 | 2.28 | 152.24 | C10H16O | C=C(C)C1CC=C(CO)CC1 |
|
AD14515 | 11.26 | 749.83 | C47H35O5N5 | COc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4ccc([N+](=O)[O-])cc4)c4nc2C=C4)C=C3)cc1 |
|
AD14516 | 1.97 | 228.28 | C12H14N5 | CCCCC#Cc1nc2c(c(NC)n1)N=C[N]2 |
|
AD14517 | 3.91 | 269.37 | C17H21ON2 | CCCCCCOc1ccc2c(c1)CCC1=C2[N]N=C1 |
|
AD14518 | 1.47 | 310.3 | C13H12ON9 | Nc1nc(N=NNC(=O)NCc2ccccc2)nc2c1N=C[N]2 |
|
AD14519 | 2.16 | 348.44 | C20H28O5 | CC(C)C1C(=O)C2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)O |
|
AD14520 | 4.35 | 381.46 | C23H21N6 | Cc1ccccc1Cn1cc(CCNc2ncnc3c2N=C[N]3)c2ccccc21 |