aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09571 | 9.62 | 1459.26 | C76H53O18N9Cl2S | O=C1NC2C(=O)NC3C(=O)NC4C(=O)NC(C(=O)NC(C(=O)O)c5cc(O)cc(O)c5-c5cc4ccc5O)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)CC1NC(=O)C(n1cc3cc4ccccc4cc3c1Sc1ncccn1)c1ccc(O)c(c1)Oc1cc(O)cc2c1 |
|
AD09572 | -0.95 | 114.15 | C5H10ON2 | O=CN1CCNCC1 |
|
AD09573 | 0.78 | 218.21 | C11H10O3N2 | O=C(OCCO)c1cnc2ccccc2n1 |
|
AD09574 | 3.66 | 218.32 | C13H14OS | COc1ccc(Cc2sccc2C)cc1 |
|
AD09575 | 0.1 | 403.44 | C20H25O6N3 | CC(C)c1ccc(C(=O)NCC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)cc1 |
|
AD09576 | 1.7 | 139.22 | C7H9NS | Nc1ccc(CS)cc1 |
|
AD09577 | -2.46 | 459.86 | C20H24O9N2Cl | COC1(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CNC(=O)c2ccc(Cl)cc2)O1 |
|
AD09578 | -2.98 | 443.4 | C19H24O9N2F | COC1(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CNC(=O)c2ccc(F)cc2)O1 |
|
AD09579 | 5.39 | 486.69 | C30H46O5 | CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD09580 | 3.62 | 614.78 | C31H54O10N2 | CCCCCCCCCCCCCC(CC(=O)OC1CN(C)C(CO)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O |