aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18001 | -4.59 | 321.31 | C12H21O8N2 | COC1(C(=O)[O-])CC(N)C(NC(C)=O)C(C(O)C(O)CO)O1 |
|
AD18002 | 2.1 | 366.4 | C15H31O6N2P | COC(=O)C(NP(=O)(NC(C)C(=O)OCC(C)(C)C)OC)C(C)C |
|
AD18003 | 5.57 | 342.79 | C19H18OF3Cl | CCc1ccc(Cc2ccc(COCC(F)(F)F)cc2Cl)cc1 |
|
AD18004 | -2.81 | 442.42 | C19H26O10N2 | COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNC(=O)c2ccccc2)O1 |
|
AD18005 | -2.5 | 225.23 | C5H11O5N3S | NC(=O)CCC(N)C(=O)NS(=O)(=O)O |
|
AD18006 | -1.82 | 251.25 | C10H13O3N5 | CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C |
|
AD18007 | 2.5 | 441.1 | C8H15O12NP4 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)Nc1ccc(C)cc1 |
|
AD18008 | 2.31 | 1191.5 | C60H106O21N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CC(=O)N(C)C3CC(C)OC(OC4C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC4(C)OC)C3O)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O |
|
AD18009 | -1.17 | 391.38 | C19H21O8N | C#CCC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(O)C(O)C2OCOC2C1O |
|
AD18010 | -0.06 | 102.18 | C5H14N2 | CCNCCCN |