aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD24681 | 0.63 | 197.24 | C4H7O4NS2 | C=CCC(S)=NOS(=O)(=O)O |
|
AD24682 | -1.11 | 550.46 | C17H32O12N2P2S | COP(=O)([O-])OP(=O)([O-])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)C(C)O |
|
AD24683 | -0.37 | 405.34 | C15H24O8N3P | CNC(=O)C(C)CC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O |
|
AD24684 | 0.56 | 578.47 | C18H32O13N2P2S | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC=CCC(=O)O |
|
AD24685 | 0.84 | 425.32 | C12H19O7N4P2S | Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1 |
|
AD24686 | -0.66 | 279.24 | C10H11O4N6 | CC(O)C(NC(=O)Nc1ncnc2c1N=C[N]2)C(=O)O |
|
AD24687 | 9.58 | 422.74 | C28H54O2 | CCCCCCCCCCCCCCCCC(C)CC(C)CC(C)C=C(C)C(=O)O |
|
AD24688 | -0.76 | 97.99 | H3O4P | O=[PH](=O)(O)O |
|
AD24689 | 0.23 | 546.47 | C18H32O11N2P2S | CCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC |
|
AD24690 | 2.98 | 489.61 | C25H27O2N7S | NC(=O)C1=CNC=CC1n1cc2c(=S)n(C(C(=O)N3CCCCCC3)c3ccccc3)cnc2n1 |