aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05071 | 2.88 | 273.31 | C16H16O2NF | CC(=O)NCCc1ccc(O)cc1-c1cccc(F)c1 |
|
AD05072 | 0.31 | 134.14 | C6H6N4 | Nc1ncnn2cccc12 |
|
AD05073 | -0.88 | 118.17 | C2H6N4S | N=C(N)N=C(N)S |
|
AD05074 | -8.89 | 1651.35 | C69H86O22N16Br2 | CC(C=Cc1ccc(Br)cc1)=CC(O)C1CC(=O)NC(CO)C(=O)NC2Cn3c[nH+]c(c3)CC(NC(=O)CC(O)CC(C(=O)[O-])NC(=O)CCNC(=O)C(Cc3ccc(Br)cc3)NC(=O)C(C(O)C(N)=O)NC(=O)C(CC(N)=O)NC2=O)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(Cc2ccccc2)C(=O)N1 |
|
AD05075 | 0.08 | 159.19 | C7H13O3N | CCOC(=O)CCC(=O)NC |
|
AD05076 | 3.88 | 235.37 | C15H25ON | CCCCCCCCOc1ccc(CN)cc1 |
|
AD05077 | -0.32 | 130.19 | C6H14ON2 | CN(C)CCCNC=O |
|
AD05078 | 7.64 | 1342.12 | C70H54O18N8Cl2 | CN(Cc1c[nH]c2ccccc12)C1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O |
|
AD05079 | 1.63 | 146.19 | C9H10N2 | NCc1c[nH]c2ccccc12 |
|
AD05080 | 1.45 | 216.25 | C9H6N5S | Nc1ncnc2c1N=C(c1cccs1)[N]2 |