aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09971 | 1.67 | 130.09 | C6H4OF2 | Oc1ccc(F)c(F)c1 |
|
AD09972 | -0.54 | 1033.29 | C50H68O10N10S2 | CNC(Cc1ccccc1)C(=O)NC1CSSCC(C(=O)NC(CO)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC1=O |
|
AD09973 | -8.03 | 1402.49 | C59H91O21N19 | CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C=NO)C(C)C)C(C)O)C(N)=O |
|
AD09974 | 1.88 | 410.43 | C22H22O6N2 | COC(c1ccccc1)(c1ccccc1)C(Oc1nc(CO)cc(CO)n1)C(=O)O |
|
AD09975 | 2.06 | 218.28 | C11H10ON2S | O=c1nc(SCc2ccccc2)cc[nH]1 |
|
AD09976 | 0.08 | 224.27 | C8H10ON5S | CC(O)CSC1=N[N]c2ncnc(N)c21 |
|
AD09977 | 2.4 | 302.16 | C9H5O4NCl2S2 | O=S(=O)(O)ON=C(S)c1cccc(Cl)c1Cl |
|
AD09978 | 0.7 | 232.24 | C12H12O3N2 | CCC1(c2ccccc2)C(=O)NC(=O)NC1=O |
|
AD09979 | 1.6 | 318.32 | C15H12N9 | Nc1nc(NN=Cc2ccc(-n3ccnc3)cc2)nc2c1N=C[N]2 |
|
AD09980 | 3.94 | 446.63 | C27H42O5 | CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C |