aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12321 | 4.19 | 512.71 | C27H44O7S | CC(C)=CCC(O)C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C |
|
AD12322 | 2.04 | 366.41 | C16H14ON8S | COc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)n[nH]c2=S)cc1 |
|
AD12323 | 3.27 | 542.74 | C28H46O8S | CC(C)C(C=CC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCCC=C3C(O)CC12O)CO |
|
AD12324 | 3.79 | 309.77 | C17H17O2NFCl | CNCc1cccc(OC)c1OCc1ccc(F)cc1Cl |
|
AD12325 | 0.9 | 143.23 | C8H17ON | OCCNC1CCCCC1 |
|
AD12326 | -0.07 | 101.12 | C5H9O2 | CCCCC(=O)[O-] |
|
AD12327 | 1.71 | 229.08 | C6H3N3SBr | Sc1ncnc2c1C(Br)=C[N]2 |
|
AD12328 | 1.09 | 156.21 | C7H8O2S | CS(=O)(=O)c1ccccc1 |
|
AD12329 | 0.98 | 284.28 | C13H12O2N6 | Cn1cc(-c2cc(C(=O)O)cc(-c3cn(C)nn3)c2)nn1 |
|
AD12330 | -2.35 | 530.58 | C26H34O8N4 | O=C(COCC(=O)NCCCO)NCC#Cc1ccc(C#CCNC(=O)COCC(=O)NCCCO)cc1 |