aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21091 | 3.61 | 221.26 | C15H11ON | Oc1ccc(-c2cccc3cnccc23)cc1 |
|
AD21092 | 2.34 | 225.24 | C11H9N6 | c1ccc(CNc2nncc3c2N=N[N]3)cc1 |
|
AD21093 | 2.25 | 182.24 | C9H10O2S | CSCc1cccc(C(=O)O)c1 |
|
AD21094 | 4.85 | 520.54 | C28H28O8N2 | Cc1c(O)ccc2cc(NC(=O)CCCCCCC(=O)Nc3cc4ccc(O)c(C)c4oc3=O)c(=O)oc12 |
|
AD21095 | 3.87 | 307.38 | C17H19N6 | C1=Nc2c(nc(Nc3ccccc3)nc2NC2CCCCC2)[N]1 |
|
AD21096 | 5.35 | 1992.89 | C102H104O28N12Cl2 | C#CCOc1cc(OCC#C)cc(C(=O)NCCOc2cc(OCCNC(=O)c3cc(OCC#C)cc(OCC#C)c3)cc(C(=O)NCCCOCCOCCOCCCNC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C5NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC)C(O)c6ccc(c(Cl)c6)Oc6cc5cc(c6O)Oc5ccc(cc5Cl)C4O)c4ccc(O)c(c4)-c4c(O)cc(O)cc43)c2)c1 |
|
AD21097 | 1.64 | 290.2 | C10H8ON5F4 | Nc1nc(OCC2CC(F)(F)C2(F)F)nc2c1N=C[N]2 |
|
AD21098 | 0.64 | 373.43 | C14H16O4N3FS2 | OCC1OC(SS)C(O)C(n2cc(-c3ccccc3F)nn2)C1O |
|
AD21099 | 2.5 | 389.15 | C15H8O2N3I | O=C1Nc2ccccc2C1=C1C(=O)Nc2ncc(I)cc21 |
|
AD21100 | 1.89 | 174.18 | C9H8ON3 | C1=C(COc2ccccc2)N=N[N]1 |