aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03911 | 2.95 | 285.33 | C18H13N4 | Nc1ncnc2c1C(c1ccc3c4c(cccc14)CC3)=C[N]2 |
|
AD03912 | -0.14 | 1189.17 | C50H65O12N10S2I | CNC(Cc1ccccc1)C(=O)NC1CSSCC(C(=O)NC(C(=O)O)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)c(I)c2)NC1=O |
|
AD03913 | 2.29 | 116.23 | C6H12S | CSC1CCCC1 |
|
AD03914 | 0.84 | 203.17 | C6H5O5NS | O=[N+]([O-])c1ccc(S(=O)(=O)O)cc1 |
|
AD03915 | 1.48 | 136.58 | C6H9O2Cl | O=C(O)CCCCCl |
|
AD03916 | 2.42 | 227.26 | C14H13O2N | CNC(=O)c1cccc(-c2ccc(O)cc2)c1 |
|
AD03917 | 2.92 | 277.37 | C19H19ON | C(#Cc1ccc(CN2CCOCC2)cc1)c1ccccc1 |
|
AD03918 | -0.48 | 844.02 | C37H69O11N11 | CC(C)C(NC(=O)NC(C(=O)NC(C(=O)NCCCNC(CO)C(=O)O)C(OC(=O)CCCCCCCCCCCN(O)C(=N)N)C(C)C)C1CCN=C(N)N1)C(=O)O |
|
AD03919 | 2.9 | 237.26 | C15H11O2N | O=c1[nH]ccc2ccc(-c3ccc(O)cc3)cc12 |
|
AD03920 | 3.74 | 448.64 | C27H44O5 | CC1CCC2(OC1)OC1C(O)C3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C |