aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18631 | 11.62 | 766.93 | C38H72O11P2 | CCCCCCCCC=CCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC)OC(=O)CCCCCCC=CCCCCCCCC |
|
AD18632 | 1.91 | 130.13 | C3H5F3S | CSCC(F)(F)F |
|
AD18633 | 0.56 | 188.23 | C8H16O3N2 | CCCNC(=O)CCCNC(=O)O |
|
AD18634 | 2.86 | 787.05 | C39H67O9N4FS | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)Nc2ccccc2F)C(C)C(O)C1(C)O |
|
AD18635 | 0.45 | 257.38 | C13H27O2N3 | CCCCN1CC(CN(C)CCC(N)C(=O)O)C1 |
|
AD18636 | 3.87 | 315.36 | C19H15ON4 | COc1ccc(Nc2ncnc3c2C(c2ccccc2)=C[N]3)cc1 |
|
AD18637 | 3.51 | 272.14 | C10H6O2F6 | COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F |
|
AD18638 | -0.82 | 113.06 | C2HO2N4 | O=[N+]([O-])C1=N[N]C=N1 |
|
AD18639 | 3.31 | 350.46 | C20H30O5 | CC1(O)CCC2C(C)(C(=O)O)CCCC2(C)C1CCC1=CCOC1=O |
|
AD18640 | -9.8 | 2810.13 | C123H193O37N39 | CCC(C)C(NC(=O)CCCCCn1cc(CNC(=O)CCN(CCCO)C(=O)CCN(CCCO)C(=O)CCN(CCCO)C(=O)CCCCCNC(=O)c2ccc(Cn3c(=O)[nH]c4c(N)nc(OCCOC)nc43)cc2)nn1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(C)C(=O)NC(C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)O)C(C)CC)C(C)C |