aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13991 | 1.97 | 244.21 | C11H7ON5F | Oc1nc(Nc2ccc(F)cc2)nc2c1N=C[N]2 |
|
AD13992 | 4.0 | 333.39 | C21H19O3N | COc1cccc(-c2ccc(O)cc2C(=O)NCc2ccccc2)c1 |
|
AD13993 | 11.76 | 688.13 | C44H81O4N | CCCCCCCC=CC=CCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCC=CCCCCCCCC |
|
AD13994 | 3.18 | 693.74 | C35H31O7N7S | CCC1(OC(=O)CNC(=O)C(Cc2c[nH]cn2)N=C(S)Nc2ccc(O)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 |
|
AD13995 | 2.17 | 773.99 | C39H59O9N5S | CC12C(O)CC3C(CCC4(O)CC(O)CCC34C=NNC(=O)CCCCCNC(=O)CCCCC3SCC4NC(=O)NC43)C1(O)CCC2C1=CC(=O)OC1 |
|
AD13996 | -2.75 | 216.14 | C8H8O7 | O=C([O-])C=C(O)COC(=O)CCC(=O)[O-] |
|
AD13997 | -1.4 | 117.08 | C4H5O4 | O=C([O-])CCC(=O)O |
|
AD13998 | 3.18 | 489.45 | C23H37O6Br | CCC1OC(=O)CC(O)C(C)C(O)C(CCBr)CC(C)C(=O)C=CC(C)=CC1CO |
|
AD13999 | 2.61 | 173.26 | C9H19O2N | CCCCCCCCNC(=O)O |
|
AD14000 | 3.03 | 372.32 | C12H9O6N2PS2 | COP(=O)(O)OC(=O)c1csc(-c2nc3ccc(O)cc3s2)n1 |