aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44341 | 2.09 | 235.26 | C11H9O3NS | COc1ccc(C(=O)c2cscn2)c(O)c1 |
|
AD44342 | 1.49 | 175.19 | C9H9ON3 | Cc1nnc(-c2ccccc2O)[nH]1 |
|
AD44343 | 1.3 | 257.29 | C12H19O5N | CC1=CCC(C(=O)OC(C)(C)C)C([N+](=O)[O-])C1O |
|
AD44344 | 3.0 | 468.66 | C29H42O4N | COC12CCC3(CC1C(C)(O)C(C)(C)C)C1Cc4ccc(O)c5c4C3(CC[NH+]1CC1CC1)C2O5 |
|
AD44345 | 2.47 | 430.65 | C27H44O3N | CC1CCC2[NH+](C1)CC1C3CC4C(CC(=O)C5CC(O)CCC54C)C3CCC1C2(C)O |
|
AD44346 | 4.77 | 354.47 | C18H26O5S | CC12CCC3c4ccc(O)cc4CCC3C1CCC2OS(O)(O)O |
|
AD44347 | 1.08 | 582.59 | C20H44O11N2P2S | CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[PH](O)(O)O[PH](O)(O)OC |
|
AD44348 | -1.66 | 167.13 | C5H5O2N5 | Cn1nnc2c(=O)[nH][nH]c(=O)c21 |
|
AD44349 | 1.85 | 354.36 | C19H18O5N2 | NC(=O)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O |
|
AD44350 | 1.33 | 191.19 | C9H9O2N3 | COc1ccc(-c2nnc(N)o2)cc1 |