aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11111 | -0.15 | 89.09 | C3H7O2N | CCN(O)C=O |
|
AD11112 | 1.01 | 324.06 | C5H11O10P3 | C#CCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC |
|
AD11113 | 1.75 | 212.68 | C11H13ON2Cl | Cc1cccnc1C(=O)NCC(C)Cl |
|
AD11114 | 5.26 | 473.5 | C28H24O5NF | COc1cccc(-c2cc(C(=O)NCCc3ccc(O)c(O)c3-c3cccc(F)c3)ccc2O)c1 |
|
AD11115 | 1.61 | 348.44 | C20H28O5 | C=C1C2CCC3C4(C)C(CCC5(C)C(=O)OC(O)C54)C(O)C3(C2)C1O |
|
AD11116 | 1.42 | 458.52 | C23H30O6N4 | O=C(NCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1)Nc1ccc(C2CCCCC2)cc1 |
|
AD11117 | 0.97 | 789.01 | C41H72O14 | C=CCCCCCCCCCCC=CC(O)C(O)C1OC(C(O)C(O)C(=C)CCC(O)C2CC(O)C(O)C(C(O)C(O)C=C(C)CC(C)O)O2)CC(O)C1O |
|
AD11118 | 2.66 | 414.58 | C23H42O6 | CCCC(O)C(O)CC(C)C=CCCC(O)CC(=O)C=CCCCCC(O)CO |
|
AD11119 | 2.43 | 370.48 | C18H22ON6S | CC(C)Cc1nn(-c2ccccc2)cc1C=NN1C(S)=NNC(=O)C1C |
|
AD11120 | 1.77 | 1162.5 | C55H99O17N7S | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OC(=O)CCC(=O)NCCCCCC(=O)NCCNC(=O)CCCCC2SCC3NC(=O)NC32)C(C)(O)CC(C)C(NOCOCCOC)C(C)C(O)C1(C)O |