aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16521 | 5.88 | 280.45 | C18H32O2 | CCCCCC=CCC=CCCCCCCCC(=O)O |
|
AD16522 | 1.61 | 735.04 | C36H70O9N4S | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)NC(C)C)C(C)C(O)C1(C)O |
|
AD16523 | -0.37 | 427.55 | C20H37O5N5 | CCN(CC(=O)NCCCCC(NC(C)=O)C(=O)NCC(=O)N(CC)CC)C(C)=O |
|
AD16524 | 1.6 | 362.36 | C15H27O6N2P | COP(=O)(NC(C)C(=O)OCC1CC1)NC(C)C(=O)OCC1CC1 |
|
AD16525 | 2.69 | 249.3 | C15H13N4 | C1=C(c2ccccc2)c2c(ncnc2NC2CC2)[N]1 |
|
AD16526 | 1.23 | 296.39 | C14H20O3N2S | CC(C)(SCc1ccccc1)C(N)C(=O)NCC(=O)O |
|
AD16527 | 1.89 | 362.36 | C15H27O6N2P | COP(=O)(NC(C)C(=O)OC1CCC1)NC(C)C(=O)OC1CCC1 |
|
AD16528 | 0.97 | 205.21 | C11H11O3N | COC(=O)c1ccc(C=CC(N)=O)cc1 |
|
AD16529 | 0.18 | 226.22 | C11H8ON5 | N=c1[nH]c2c(c(=O)[nH]1)C(c1ccccc1)=N[N]2 |
|
AD16530 | 6.3 | 766.93 | C42H58O11N2 | COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(C)=CC4C=C2C)OC3=O)CC1(C)[N+](=O)[O-] |