aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44101 | -0.28 | 117.15 | C5H11O2N | COCC(=O)N(C)C |
|
AD44102 | 0.56 | 332.36 | C17H19O3N3F | O=C(O)c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O |
|
AD44103 | -0.91 | 289.28 | C12H19O7N | CC(=O)NC1C(O)OC(COC(C)=O)CC1OC(C)=O |
|
AD44104 | -1.73 | 379.44 | C18H27O5N4 | COC(=O)CCC([NH3+])C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(N)=O |
|
AD44105 | -7.06 | 395.5 | C16H37O6N5 | [NH3+]CCC(O)C(=O)NC1CC([NH3+])C(OC2OC(C[NH3+])CCC2[NH3+])C(O)C1O |
|
AD44106 | -7.62 | 437.54 | C18H39O7N5 | [NH3+]CCC(O)C(=O)NC1CC([NH3+])C(OC2OC(C[NH2+]CCO)=CCC2[NH3+])C(O)C1O |
|
AD44107 | -3.24 | 569.23 | C10H27O16N3P4 | CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O[PH](O)(O)OCC1OC(n2ccc(N)nc2=O)CC1O |
|
AD44108 | -1.01 | 179.03 | CH9O6P2 | CO[PH](O)(O)O[PH](O)O |
|
AD44109 | -1.43 | 200.15 | C6H8O4N4 | Cn1c(N)c([N+](=O)[O-])c(=O)n(C)c1=O |
|
AD44110 | 1.3 | 327.38 | C19H21O4N | C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5 |