aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23821 | 0.36 | 315.3 | C12H13O7NS | COS(=O)(=O)NC(=O)CCC(=O)c1ccccc1C(=O)O |
|
AD23822 | 0.28 | 155.11 | C5H5O3N3 | Nc1nc(O)ccc1[N+](=O)[O-] |
|
AD23823 | -4.73 | 1061.22 | C42H64O11N18S2 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(CCO)C(O)C(C)C(=O)NC(C(=O)NCCC1=NC(c2nc(C(=O)NCCC(=N)N)cs2)CS1)C(C)(C)O)C(O)c1c[nH]cn1 |
|
AD23824 | -0.08 | 103.08 | C3H5O3N | CC(=NO)C(=O)O |
|
AD23825 | 1.18 | 536.48 | C17H34O11N2P2S | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)(C)C |
|
AD23826 | 2.82 | 287.29 | C16H14O3NF | C=CCNC(=O)c1cc(-c2ccc(F)cc2)cc(O)c1O |
|
AD23827 | 1.58 | 339.18 | C10H15O8NP2 | COP(=O)(O)OC(c1cccc(NC(C)=O)c1)P(=O)(O)O |
|
AD23828 | 6.61 | 768.99 | C39H65O9N2PS | COP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C |
|
AD23829 | -0.91 | 117.15 | C5H11O2N | NC1COC(CO)C1 |
|
AD23830 | -1.81 | 276.28 | C12H14O3N5 | Nc1nc2c(c(=O)[nH]1)C(CNC1C=CC(O)C1O)=C[N]2 |