aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22461 | 1.43 | 214.25 | C11H12N5 | CN(C)c1ncnc2c1-c1ccn(C)c1[N]2 |
|
AD22462 | 4.27 | 374.44 | C22H22O2N4 | CNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 |
|
AD22463 | 3.85 | 693.69 | C28H45O11N3P2S | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(C)(C)CC(=O)CCCc1c[nH]c2ccccc12 |
|
AD22464 | 3.13 | 245.35 | C14H15ONS | CCn1cc(-c2ccc(S)c(C)c2)ccc1=O |
|
AD22465 | 1.46 | 166.22 | C10H14O2 | C=C1C(CO)=CC(=O)CC1(C)C |
|
AD22466 | -2.19 | 228.27 | C6H16O5N2S | NS(=O)(=O)NCCOCCOCCO |
|
AD22467 | 6.32 | 1349.18 | C66H59O20N7Cl2S | CCCCCCS(=O)(=O)NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O |
|
AD22468 | 8.47 | 1680.57 | C84H88O23N12Cl2 | CCCCCCCCCCOCc1cn(CCOCCOCCOCCOCc2cn(C3C(=O)NC4Cc5ccc(c(Cl)c5)Oc5cc6cc(c5O)Oc5ccc(cc5Cl)C(O)C5NC(=O)C(NC(O)C6NC(=O)C(NC4=O)c4cc(O)cc(c4)Oc4cc3ccc4O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC5=O)nn2)nn1 |
|
AD22469 | 3.77 | 504.71 | C30H48O6 | CC12CCC(C(C)(C)O)(OCC34CCC56CC57CCC(O)C(C)(C)C7CCC6C3(C)C(O)C(O)C14)O2 |
|
AD22470 | -2.8 | 479.48 | C20H33O12N | CC(=O)NC1C(O)CC(OC2CCOC3(CCC(O)CO3)C2)(C(=O)O)OC1C(O)C(O)CO |