aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD02321 | 6.65 | 370.57 | C22H42O4 | CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCC |
|
AD02322 | 6.06 | 369.59 | C22H43O3N | CCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCCCC |
|
AD02323 | -0.54 | 164.15 | C6H6ON5 | Nc1nc(CO)nc2c1N=C[N]2 |
|
AD02324 | 5.47 | 510.74 | C28H46O6S | C=C(CCC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C)C(C)C |
|
AD02325 | 3.91 | 277.35 | C18H17ON2 | COc1ccc2[nH]c3c(C)c4cc[nH+]cc4c(C)c3c2c1 |
|
AD02326 | -0.46 | 224.28 | C8H16O5S | COC1CC(O)OC(C)C1S(C)(=O)=O |
|
AD02327 | 0.47 | 277.27 | C14H9ON6 | NC(=O)c1ccc(C#Cc2nc(N)c3c(n2)[N]C=N3)cc1 |
|
AD02328 | -1.07 | 149.14 | C5H5N6 | NC1=N[N]c2ncnc(N)c21 |
|
AD02329 | -0.94 | 76.05 | C2H4O3 | O=C(O)CO |
|
AD02330 | -3.83 | 1141.04 | C37H71O19N14P3S | COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)NCC(NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(C)=O)C(=O)NC(CC(C)C)C(=O)NCC(=O)O |