aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16131 | 1.69 | 220.07 | C6H4O2SBr | O=[S](=O)c1ccc(Br)cc1 |
|
AD16132 | 5.47 | 322.24 | C17H11N2Cl2S | Cc1cccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)c1 |
|
AD16133 | 7.66 | 742.99 | C46H62O8 | CC1(C)CC2C3(C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC24OC3O)C(OC(=O)CCc2ccccc2)C1OC(=O)c1ccccc1 |
|
AD16134 | 0.55 | 378.38 | C19H22O8 | COc1ccc(C=CC(=O)OC2CC(O)(CO)C3C(O)OC=CC23)cc1O |
|
AD16135 | 2.99 | 172.23 | C12H12O | COCc1cccc2ccccc12 |
|
AD16136 | 4.24 | 344.3 | C20H9O3N2F | O=C1NC(=O)c2c1c1c3cc(F)ccc3[nH]c1c1oc3ccccc3c21 |
|
AD16137 | 0.4 | 108.52 | C4H5O2Cl | O=COCCCl |
|
AD16138 | 2.09 | 204.23 | C9H6ON3S | COc1ncnc2c1-c1sccc1[N]2 |
|
AD16139 | 1.67 | 189.22 | C8H5N4S | Nc1ncnc2c1-c1ccsc1[N]2 |
|
AD16140 | 0.03 | 206.19 | C8H8O2N5 | CCC(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2 |