aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14001 | -1.73 | 196.19 | C7H10O2N5 | OCCONC1=NCNC2=C1N=C[N]2 |
|
AD14002 | 0.6 | 522.55 | C26H34O11 | COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)CC(C)C)C24 |
|
AD14003 | 2.35 | 1141.11 | C57H56O18N8 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(-c4ccoc4)c3)Oc3cc2cc(c3O)Oc2ccc(cc2)C1O |
|
AD14004 | 0.82 | 226.21 | C10H11O3N2F | O=C(O)NCCNC(=O)c1ccc(F)cc1 |
|
AD14005 | 3.6 | 293.37 | C19H19O2N | Cn1cc(CCc2ccc3c(c2)CCO3)c2c(O)cccc21 |
|
AD14006 | 6.92 | 500.76 | C32H52O4 | COC(C=C(C)C)CC(C)C1CCC2(C)C3C=CC45OC(OC)C3(CCC12C)C4CCC(O)C5(C)C |
|
AD14007 | 5.14 | 486.78 | C28H58O4N2 | CC(N)C(O)CCCCCCCC(=O)CCCCCCCCCCCCCCC(O)C(N)CO |
|
AD14008 | 1.81 | 328.2 | C8H4O4N4F4S | COS(=O)(=O)NC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F |
|
AD14009 | 0.5 | 281.3 | C13H13N8 | C1=Nc2c(ncnc2N2CCN(c3ncccn3)CC2)[N]1 |
|
AD14010 | 3.8 | 300.4 | C19H24O3 | Oc1ccc(CCCCC(O)CCc2ccc(O)cc2)cc1 |