aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21291 | 3.7 | 299.42 | C13H17O3NS2 | CCOC(=O)c1c(NC(=O)SC)sc2c1CCCC2 |
|
AD21292 | 4.36 | 300.44 | C20H28O2 | CC(C)C1=C2C3=CC=C(C=O)CC(O)C3(C)CCC2(C)CC1 |
|
AD21293 | 12.04 | 2046.51 | C104H148O16N28 | CC(C)(C)c1cc2c(OCCCn3cc(CN(O)C(=O)CCCCCn4cc(CO)nn4)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(O)C(=O)CCCCCn3cc(CO)nn3)nn1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(O)C(=O)CCCCCn3cc(CO)nn3)nn1)Cc1cc(C(C)(C)C)cc(c1OCCCn1cc(CN(O)C(=O)CCCCCn3cc(CO)nn3)nn1)C2 |
|
AD21294 | 3.24 | 522.47 | C26H22O10N2 | COc1c(O)ccc2cc(NC(=O)CC=CCC(=O)Nc3cc4ccc(O)c(OC)c4oc3=O)c(=O)oc12 |
|
AD21295 | 3.43 | 244.32 | C14H12O2S | COC(=O)c1cccc(-c2ccc(S)cc2)c1 |
|
AD21296 | 1.15 | 323.71 | C14H11O2N5FCl | Nc1nc2c(c(=O)[nH]1)[N+](CCOc1ccc(Cl)c(F)c1)=C[N]2 |
|
AD21297 | 3.12 | 300.49 | C17H36O2N2 | CCCCCCCCCCCCCCNC(=O)C(N)CO |
|
AD21298 | 4.73 | 410.07 | C14H10ON4Br2 | O=C(Nc1ccc(Br)cc1Br)Nc1cccc2[nH]cnc12 |
|
AD21299 | 2.31 | 258.27 | C15H14O4 | O=C(O)COc1ccc(-c2cccc(CO)c2)cc1 |
|
AD21300 | 1.39 | 348.8 | C14H11ON7ClS | Nc1ncnc2c1N=C(SCC(=O)NCc1ccnc(Cl)c1)[N]2 |