aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05801 | 4.45 | 471.7 | C25H45O5NS | CCCCCCCCCCCCCCC(O)C(O)C(CO)NS(=O)(=O)c1ccc(C)cc1 |
|
AD05802 | -0.07 | 329.23 | C11H14O6N4P | COP(=O)([O-])OCC1CCC(n2cnc3c(=O)[nH]cnc32)O1 |
|
AD05803 | 4.66 | 488.71 | C30H48O5 | CC1CC2OC3(CC4(C)C5C(O)CC6C(C)(C)C(O)CCC67CC57CCC4(C)C13)OC2C(C)(C)O |
|
AD05804 | 2.18 | 267.32 | C14H15N6 | CC(CNc1nc(N)nc2c1N=C[N]2)c1ccccc1 |
|
AD05805 | 6.31 | 566.61 | C34H30O8 | O=C(O)Cc1cccc(-c2cc(C(=O)CCCCC(=O)c3ccc(O)c(-c4ccccc4CC(=O)O)c3)ccc2O)c1 |
|
AD05806 | -0.38 | 130.53 | C5H3ON2Cl | [O-]c1n[nH+]ccc1Cl |
|
AD05807 | 3.99 | 529.67 | C30H43O7N | CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=NOCc2ccccc2)C=CC(C)=CC1CO |
|
AD05808 | 2.92 | 277.31 | C12H11O3N3S | Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C |
|
AD05809 | 1.92 | 197.31 | C9H15N3S | CNc1nc(C2CCCN2)c(C)s1 |
|
AD05810 | 3.42 | 277.37 | C14H16N3FS | CNc1nc(C2CCCN2)c(-c2ccc(F)cc2)s1 |