aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06001 | 0.31 | 76.05 | C2H4O3 | COC(=O)O |
|
AD06002 | 4.25 | 411.26 | C20H15O3N2Br | CCCC(=O)c1ccc2c(c1)C(=C1C(=O)Nc3ccc(Br)cc31)C(=O)N2 |
|
AD06003 | 6.78 | 578.64 | C29H27ON7F3S | Nc1cc(-c2cccc(C(F)(F)F)c2)c(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3N=C[N]4)cc2)s1 |
|
AD06004 | 1.43 | 285.33 | C10H9O4N2S2 | O=S(=O)([O-])ON=C(S)Cc1c[nH]c2ccccc12 |
|
AD06005 | 1.51 | 134.24 | C6H14OS | CCCSCCCO |
|
AD06006 | 1.48 | 258.29 | C10H8N7S | Nc1nc(NN=Cc2cccs2)nc2c1N=C[N]2 |
|
AD06007 | 0.86 | 136.15 | C8H8O2 | O=C(CO)c1ccccc1 |
|
AD06008 | 2.54 | 420.46 | C22H28O8 | CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCCc1ccc(OC)c(OC)c1 |
|
AD06009 | -1.29 | 137.15 | C5H7N5 | NC1=NCN=C2NC=NC12 |
|
AD06010 | 2.49 | 278.33 | C14H14O4S | O=S(=O)(O)CCc1cccc(-c2ccccc2O)c1 |