aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11921 | 6.09 | 806.9 | C44H54O14 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C6OC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)OCC6(CO)C5CCC43C)C2C1 |
|
AD11922 | 1.05 | 215.05 | C7H7ON2Br | NNC(=O)c1cccc(Br)c1 |
|
AD11923 | 2.21 | 162.22 | C8H6N2S | c1ccc(-c2ncsn2)cc1 |
|
AD11924 | 3.61 | 1487.35 | C72H70O31N4 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)OCc2ccc(NC(=O)OCc3ccc(O)c([N+](=O)[O-])c3)c(COC(=O)NC3CC(OC4CC(O)(C(=O)CO)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)OC(C)C3O)c2)C(O)C(C)O1 |
|
AD11925 | 4.1 | 277.54 | C13H7ON2Cl3 | COC(=N)c1c(Cl)[nH]c2cc(Cl)c(Cl)cc12 |
|
AD11926 | 2.72 | 390.52 | C23H34O5 | CC12CCC(O)CC1CCC1C2CCC2(C)C(O)(C3=CC(=O)OC3)CCC12O |
|
AD11927 | 2.85 | 256.31 | C12H10N5S | CSc1cccc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD11928 | 2.81 | 213.36 | C13H27ON | OCCCCCCCCN1CCCCC1 |
|
AD11929 | 1.79 | 149.24 | C10H15N | CN(C)CCc1ccccc1 |
|
AD11930 | 2.44 | 181.28 | C11H19ON | C=C(C)C1CC=C(CNOC)CC1 |