aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20611 | 4.34 | 208.33 | C12H22N3 | CCCCCCCCCCC1=C[N]N=N1 |
|
AD20612 | 4.37 | 316.49 | C21H32O2 | C=CC1CCC2C3CCC4CC(O)CCC4(C=O)C3CCC12C |
|
AD20613 | 3.3 | 203.31 | C12H13NS | CCc1ccc(Cc2cscn2)cc1 |
|
AD20614 | 3.01 | 785.01 | C40H69O10N4F | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)Nc2cc(F)ccc2C)C(C)C(O)C1(C)O |
|
AD20615 | 8.85 | 614.01 | C37H75O5N | CCCCCCCCCCCCCCCCC(O)C(=O)N(C)C(CO)C(O)C(O)CCCCCCCCCCCCCC |
|
AD20616 | 4.69 | 492.49 | C28H20O5N4 | Cc1ccc(CNN2C(=O)c3c(c4c5ccc(O)cc5n(O)c4c4[nH]c5cc(O)ccc5c34)C2=O)cc1 |
|
AD20617 | 2.09 | 835.05 | C42H70O11N6 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)Cc3ccc(-c4cn(CCCC(=O)NO)nn4)cc3)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |
|
AD20618 | 3.32 | 256.3 | C16H16O3 | COc1ccc(Cc2ccc3c(c2C)OCO3)cc1 |
|
AD20619 | 0.12 | 219.24 | C11H13O2N3 | Cn1c(=O)n(C)c2cc(CNC=O)ccc21 |
|
AD20620 | 1.85 | 252.25 | C14H9N4F | Nc1ncnn2ccc(C#Cc3ccc(F)cc3)c12 |