aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD01111 | 1.4 | 124.14 | C7H8O2 | COc1ccc(O)cc1 |
|
AD01112 | 1.86 | 585.61 | C30H35O11N | CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O |
|
AD01113 | 3.35 | 470.61 | C28H38O6 | CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC23C)C1 |
|
AD01114 | 1.99 | 391.4 | C19H22O5N3F | CN(CCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1)CCC(=O)O |
|
AD01115 | -1.35 | 741.63 | C24H33O14N5P2S2 | COP(O)(=S)OC1C2OC(C)C1(COP(O)(=S)OC1C3OC(C)C1(CO)OC3n1ccc(=O)[nH]c1=O)OC2n1cc(C)c(N)nc1=O |
|
AD01116 | -2.24 | 1047.87 | C33H44O20N7P3S3 | Cc1cn(C2OC3(COP(O)(=S)OC4C5OC(C)C4(COP(O)(=S)OC4CC(n6cc(C)c(=O)[nH]c6=O)OC4COP(O)(O)=S)OC5n4ccc(=O)[nH]c4=O)C(C)OC2C3O)c(=O)nc1N |
|
AD01117 | -1.28 | 136.14 | C5H6N5 | NC1NC=NC2=C1N=C[N]2 |
|
AD01118 | 1.29 | 126.15 | C7H10O2 | C=CC=CC(=O)OCC |
|
AD01119 | 2.57 | 436.46 | C24H24O6N2 | O=C1C2CCC3C(=NO)CC(O)C(O)C3C2C(=O)N1c1cccc(Oc2ccccc2)c1 |
|
AD01120 | 1.25 | 121.14 | C7H7ON | O=CNc1ccccc1 |