aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22521 | -1.17 | 382.41 | C13H18O4N8S | Nc1nc2c(ncn2CCCCCS(=O)(=O)n2cc(CO)nn2)c(=O)[nH]1 |
|
AD22522 | 2.84 | 411.41 | C22H21O7N | Cc1c(O)ccc2c(O)c(NC(=O)c3ccc4c(c3)CC(O)C(C)(C)O4)c(=O)oc12 |
|
AD22523 | 5.82 | 611.6 | C33H32O3N4Cl2S | CNC(=O)c1cccc(OCc2cc(Cl)c(CN3CSCC3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)c1 |
|
AD22524 | 1.9 | 398.37 | C21H18O8 | O=C(OCc1cc(O)ccc1O)C1(O)C=CCC(=Cc2cc(O)ccc2O)C1=O |
|
AD22525 | 5.36 | 608.77 | C36H48O8 | CC(=CC=CC=CC1C(C)=CC2C(O)CCCC2C2C(=O)OC(=O)C(C)=C3CC(O)CC3=C12)CC(C)CC(O)C(C)C(=O)O |
|
AD22526 | 6.7 | 442.68 | C29H46O3 | CC1CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1C |
|
AD22527 | 1.24 | 230.27 | C13H14O2N2 | CNc1c(NCc2ccc(C)cc2)c(=O)c1=O |
|
AD22528 | 3.13 | 258.3 | C13H9N3FS | Fc1ccc(CSc2ncnc3c2C=C[N]3)cc1 |
|
AD22529 | 1.8 | 210.23 | C11H14O4 | COC(=O)c1c(C)cc(OC)cc1OC |
|
AD22530 | 2.04 | 717.99 | C37H71O10N3 | CCCCC(=O)NCCCN1CC(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C |