aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05951 | 4.46 | 253.32 | C17H16NF | CCc1ccc(Cc2c[nH]c3cccc(F)c23)cc1 |
|
AD05952 | 4.94 | 261.37 | C19H19N | Cc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12 |
|
AD05953 | 4.47 | 486.69 | C30H46O5 | CC1(C)CC2C3=CC(=O)C4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)C(O)CC2(C)CC1=O |
|
AD05954 | 6.63 | 599.79 | C34H50O5N3F | COCCCCCCCCCCCCN1CCCC2CN(c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC)CC21 |
|
AD05955 | -0.05 | 186.19 | C6H6O3N2S | O=C(O)CSc1cc[nH]c(=O)n1 |
|
AD05956 | 2.12 | 596.78 | C32H54O9N | C#CC[N+](C)(C)C1CC(C)OC(OC2C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C3=C(C)CC2(C)O3)C1O |
|
AD05957 | -0.6 | 317.13 | C7H13O9NP2 | COP(=O)(O)OC(CN1C(=O)CCC1=O)P(=O)(O)O |
|
AD05958 | 1.94 | 175.19 | C9H9ON3 | c1c[nH]c(-c2cc(C3CC3)on2)n1 |
|
AD05959 | 4.15 | 398.59 | C22H42O4N2 | CCCCCCCCCCCCCCCC(=O)N1C(CN)OCC1C(=O)OC |
|
AD05960 | 2.98 | 558.61 | C27H30O9N2S | CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN(C)C(=O)CS(C)(=O)=O)c1O |