aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12331 | 2.63 | 481.55 | C27H31O7N | COC(C(=O)NC1C2CC3CC(C2)CC1C3)C1Cc2cc3cc(O)cc(O)c3c(O)c2C(=O)C1O |
|
AD12332 | 0.38 | 270.99 | CH8O9NP3 | COP(=O)(O)OP(=N)(O)OP(=O)(O)O |
|
AD12333 | -1.29 | 160.12 | C6H8O5 | O=C(O)C1=CC(O)C(O)CO1 |
|
AD12334 | 0.05 | 200.22 | C7H8O3N2S | C=CCSc1cn(O)c(=O)[nH]c1=O |
|
AD12335 | 3.26 | 528.71 | C27H44O8S | CCC(C)C(O)C1OC2CC3C4CC(O)C5CC(OS(=O)(=O)O)CCC5(C)C4=CCC3(C)C2C1(C)O |
|
AD12336 | 2.65 | 126.59 | C8H7Cl | Cc1cccc(Cl)c1 |
|
AD12337 | 4.19 | 556.7 | C32H44O8 | CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C |
|
AD12338 | 3.59 | 292.36 | C17H12ON2S | O=c1[nH]cc(C2c3ccccc3-c3ccccc32)c(=S)[nH]1 |
|
AD12339 | 3.37 | 526.69 | C27H42O8S | CC(C)(O)C=CC(=O)C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C |
|
AD12340 | 4.09 | 321.16 | C17H10O2N2Cl2 | O=C(O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12 |