aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14031 | 1.4 | 222.2 | C9H10O3N4 | CN(N=O)C(=O)Nc1ccc(NC=O)cc1 |
|
AD14032 | -1.67 | 300.34 | C11H16O4N4S | Cc1cn(C2CC(O)C(CNC(N)=S)O2)c(=O)[nH]c1=O |
|
AD14033 | 2.8 | 274.4 | C15H30O4 | CCCCCCCCCCCC(=O)OCC(O)CO |
|
AD14034 | 1.1 | 192.26 | C11H16ON2 | COc1ccc(N2CCNCC2)cc1 |
|
AD14035 | 0.79 | 193.16 | C9H7O4N | Nc1c(O)c2cc(O)ccc2oc1=O |
|
AD14036 | 0.13 | 397.86 | C16H28O7N3Cl | CCC(C)N(C(=O)N(CCCl)N=O)C1OC(CO)C(COC)C(O)C1O |
|
AD14037 | 5.98 | 1180.92 | C60H43O17N7Cl2 | NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)CC3=NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O |
|
AD14038 | 1.67 | 371.39 | C20H21O6N | COC1=CC2C3=C(C(NC(C)=O)CCc4cc(O)c(O)c(OC)c43)C2C1=O |
|
AD14039 | 1.58 | 371.39 | C20H21O6N | COC1=CC2C3=C(C(NC=O)CCc4cc(OC)c(O)c(OC)c43)C2C1=O |
|
AD14040 | 4.54 | 292.36 | C17H12ON2S | c1coc(-c2nnc(Cc3ccc4ccccc4c3)s2)c1 |