aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD07971 | 2.31 | 408.41 | C23H20O7 | O=C(OCC12OC1C(OC(=O)c1ccccc1)C1C=COC(O)C12)c1ccccc1 |
|
AD07972 | 5.13 | 414.34 | C20H6O2N2F4S | O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3[nH]c1c1sc3cc(F)c(F)cc3c21 |
|
AD07973 | 2.9 | 285.31 | C13H9O2N4S | O=[N+]([O-])c1ccc(CSc2ncnc3c2C=C[N]3)cc1 |
|
AD07974 | 2.78 | 216.24 | C13H12O3 | Cc1cc(O)c(-c2ccccc2)c(O)c1O |
|
AD07975 | 0.32 | 74.15 | C4H12N | C[N+](C)(C)C |
|
AD07976 | 7.03 | 432.71 | C27H44O2S | CC(=O)C1CCC2C3CC=C4CC(OCCCCCCS)CCC4(C)C3CCC12C |
|
AD07977 | 8.36 | 1507.36 | C80H69O19N9Cl2 | CN(C)CCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(cc5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N(C)Cc2ccc(C(=O)Oc3ccccc3)cc2)c2ccc(O)c(c2)Oc2cc(O)c(Cl)c4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD07978 | 2.36 | 227.26 | C14H13O2N | NCc1ccc(C(=O)Oc2ccccc2)cc1 |
|
AD07979 | 0.2 | 206.18 | C8H8O2N5 | Nc1ncnc2c1N=C(CCC(=O)O)[N]2 |
|
AD07980 | 4.77 | 472.67 | C29H44O5 | CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC32C)C2(C)CCC(O)C(C)(CO)C2CC4)O1 |