aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06021 | 3.62 | 504.71 | C30H48O6 | CC(C)(O)C1CCC(C)(C2C(=O)C(O)C3(C)C4CCC5C(C)(C)C(O)CCC56CC46CC(O)C23C)O1 |
|
AD06022 | 1.31 | 332.35 | C18H20O6 | COC1CC2(C)OC(=O)C3(COC(=O)c4ccccc4)C1CC23O |
|
AD06023 | 2.15 | 804.02 | C41H66O8N7F | NCC1OC(OC2C(N)CC(N)C(O)C2OCCCCCCCCCCCCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)C(N)CC1O |
|
AD06024 | -0.27 | 133.17 | C4H7O2NS | O=C(O)C1CSCN1 |
|
AD06025 | 1.48 | 314.42 | C17H30O5 | CC(C)COC(=O)C(C)C1(O)C(O)CC2CC(O)CCC21C |
|
AD06026 | 0.2 | 300.32 | C15H16O3N4 | Cc1cc2nc3c(=O)n(CCO)c(=O)nc-3n(C)c2cc1C |
|
AD06027 | 0.31 | 191.13 | C5H3ON8 | [N-]=[N+]=NC1=Nc2c(O)nc(N)nc2[N]1 |
|
AD06028 | -0.31 | 399.46 | C19H25O3N7 | NC(=O)CCNC1=C2N=CNC2N=CN1NCCc1ccc(CCC(=O)O)cc1 |
|
AD06029 | 3.51 | 262.74 | C15H15ON2Cl | CC(C)Oc1ccc(Cc2ccccc2Cl)nn1 |
|
AD06030 | 3.76 | 276.77 | C16H17ON2Cl | CC(C)COc1ccc(Cc2ccccc2Cl)nn1 |