aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22611 | 4.21 | 320.54 | C16H36O2N2S | CCCCCCCCN(CCCCCCCC)S(N)(=O)=O |
|
AD22612 | 0.84 | 307.39 | C16H25O3N3 | CN(CCCc1cccc(C(N)=O)c1)CCCC(N)C(=O)O |
|
AD22613 | 3.05 | 793.06 | C42H72O10N4 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)Nc2ccc3c(c2)CCC3)C(C)C(O)C1(C)O |
|
AD22614 | 0.66 | 850.04 | C41H63O12N5S | CC12C(O)CC3C(CCC4(O)CC(O)CCC34C=NNC(=O)COCCOCCOCCNC(=O)CCCCC3SCC4NC(=O)NC43)C1(O)CCC2C1=CC(=O)OC1 |
|
AD22615 | 1.34 | 260.32 | C9H10O4NS2 | O=S(=O)([O-])ON=C(S)CCc1ccccc1 |
|
AD22616 | 2.82 | 259.29 | C12H8N4FS | Fc1ccccc1SCc1ncnc2c1N=C[N]2 |
|
AD22617 | 3.6 | 316.35 | C18H20O5 | COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)c(O)c1 |
|
AD22618 | 2.8 | 279.43 | C13H17N3S2 | Cc1ncc(Cc2csc(CCS)c2C)c(N)n1 |
|
AD22619 | 1.26 | 385.4 | C18H21O4N6 | COc1ccc(C(=O)NCCOCCNc2ncnc3c2N=C[N]3)cc1OC |
|
AD22620 | 2.76 | 415.48 | C23H23O2N6 | O=C(NCCOCCNc1ncnc2c1N=C[N]2)C(c1ccccc1)c1ccccc1 |