aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44111 | -1.93 | 315.09 | C4H16O9NP3 | C#CCN[PH](O)(O)O[PH](O)(O)O[PH](O)(O)OC |
|
AD44112 | -0.37 | 181.17 | C4H7O5NS | O=C1CC(S(O)(O)O)C(=O)N1 |
|
AD44113 | 0.85 | 376.41 | C20H24O7 | C=C1CC(OC(=O)C(C)(O)C(C)=O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12 |
|
AD44114 | 0.32 | 414.43 | C18H22O9S | COc1ccc(C(=O)OC2C3CCOC(O)C3C3(COS(C)(=O)=O)OC23)cc1 |
|
AD44115 | -3.7 | 450.54 | C20H34O4N8 | OCC(OC(O)C=NC12CN3CN(CN(C3)C1)C2)C(O)C=NC12CN3CN(CN(C3)C1)C2 |
|
AD44116 | -0.38 | 466.41 | C22H18O8N4 | O=C1NC(=O)c2cc(N=CC(O)OC(CO)C(O)C=Nc3ccc4c(c3)C(=O)NC4=O)ccc21 |
|
AD44117 | 0.58 | 432.4 | C12H12O8N6S2 | O=[N+]([O-])c1ncc(N=CC(O)OC(CO)C(O)C=Nc2cnc([N+](=O)[O-])s2)s1 |
|
AD44118 | -0.01 | 342.44 | C16H30O4N4 | OCC(OC(O)C=NN1CCCCC1)C(O)C=NN1CCCCC1 |
|
AD44119 | -2.32 | 346.38 | C14H26O6N4 | OCC(OC(O)C=NN1CCOCC1)C(O)C=NN1CCOCC1 |
|
AD44120 | -2.5 | 429.22 | C10H17O10N5P2 | Nc1ncnc2c1ncn2C(C=O)OC(C=O)CO[PH](O)(O)O[PH](O)(O)O |