aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04251 | 8.89 | 546.84 | C37H54O3 | CC1(C)CCC2(C(=O)OCc3ccccc3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD04252 | 2.6 | 260.29 | C15H16O4 | COc1ccc(CCc2cc(O)cc(O)c2)cc1O |
|
AD04253 | 1.61 | 357.44 | C16H19ON7S | CNC(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2)CC1 |
|
AD04254 | 2.24 | 204.18 | C11H8O4 | O=C(O)C=Cc1cc2ccoc2cc1O |
|
AD04255 | 1.77 | 297.34 | C16H17O2N4 | CCCCn1c(=O)c2c(n(Cc3ccccc3)c1=O)N=C[N]2 |
|
AD04256 | 10.2 | 500.86 | C31H48OS2 | CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)cc1C(C)(C)C |
|
AD04257 | 1.93 | 340.38 | C19H20O4N2 | COc1cc(C=CC(=O)N(CC(N)=O)Cc2ccccc2)ccc1O |
|
AD04258 | -0.43 | 259.06 | C7H7O2N4Br | N#CNC(CBr)c1c[nH]c(=O)[nH]c1=O |
|
AD04259 | -7.44 | 1336.67 | C55H109O10N29 | N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCNC(=O)C(CCCCN)NC(=O)CCCCCNC=O)C(N)=O |
|
AD04260 | 0.32 | 236.98 | C4H2O2N2I | O=C(O)C1=N[N]C=C1I |