aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44301 | 1.86 | 453.55 | C21H25O2N8S | CN(C)c1cccc2c(S(=O)(=O)NCCCCNC3=Nc4c(N)ncnc4[N]3)cccc12 |
|
AD44302 | 2.89 | 387.46 | C20H21O5NS | COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC=O)CC2 |
|
AD44303 | 3.07 | 508.52 | C28H28O9 | COC(=O)C1=COC(O)C(=CCOC(=O)C=Cc2ccccc2)C1CC(=O)OCCc1ccc(O)cc1 |
|
AD44304 | 2.88 | 416.43 | C22H24O8 | COc1cc(C2OCC3(OC(C)=O)C(c4ccc(O)c(OC)c4)OCC23)ccc1O |
|
AD44305 | 0.47 | 464.42 | C22H24O11 | CC(=O)OCC1(O)C(OC(C)=O)C(OC(=O)c2ccc(OC(C)=O)cc2)C2C=COC(O)C21 |
|
AD44306 | -0.1 | 422.39 | C20H22O10 | CC(=O)OCC1(O)C(O)C(OC(=O)c2ccc(OC(C)=O)cc2)C2C=COC(O)C21 |
|
AD44307 | 0.55 | 436.41 | C21H24O10 | COc1ccc(C(=O)OC2C3C=COC(O)C3C(O)(COC(C)=O)C2OC(C)=O)cc1 |
|
AD44308 | -0.02 | 394.38 | C19H22O9 | COc1ccc(C(=O)OC2C3C=COC(O)C3C(O)(COC(C)=O)C2O)cc1 |
|
AD44309 | 3.16 | 451.63 | C24H37O5NS | CC12CCC(NS(C)(=O)=O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O |
|
AD44310 | 0.91 | 195.22 | C10H13O3N | O=C(NCCO)OCc1ccccc1 |