aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00341 | 2.88 | 262.36 | C12H16N5S | C=CCCCCSc1nc2c(c(NC)n1)N=C[N]2 |
|
AD00342 | 1.04 | 100.12 | C5H8O2 | CC=C(C)C(=O)O |
|
AD00343 | 0.9 | 534.64 | C26H46O11 | CCCC1CCCCCCCCCC(=O)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2O |
|
AD00344 | 5.89 | 438.61 | C23H42O4N4 | CCCCCCCCCCCCCCCC(=O)N1C(CCN=[N+]=[N-])OCC1C(=O)OC |
|
AD00345 | 3.86 | 324.47 | C15H20O2N2S2 | Cc1nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)sc1C |
|
AD00346 | 1.5 | 298.24 | C12H15O5N2P | COP(=O)(O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
|
AD00347 | 1.92 | 291.35 | C16H21O4N | CC(=Cc1ccc(O)c(O)c1)C(=O)NC1CCCCC1O |
|
AD00348 | 8.73 | 683.81 | C44H37O3N5 | Nc1ccc(C2c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc2[nH]3)cc1 |
|
AD00349 | 3.24 | 1256.16 | C63H53O20N9 | COC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(n5cc(CO)nn5)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)C(O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD00350 | 0.73 | 88.11 | C4H8O2 | CC(C)C(=O)O |