aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13631 | 0.35 | 196.23 | C8H8O2N2S | CNC1=NS(=O)(=O)c2ccccc21 |
|
AD13632 | -3.02 | 966.07 | C47H59O10N13 | CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(Cc2ccc3nc(-c4ccc(C(C)(C)C)cc4)oc3c2)NC1=O |
|
AD13633 | 2.78 | 1370.74 | C70H115O18N9 | NC(CCC(=O)NCCCCCCO)C(=O)NCCOCCOCCOc1ccc(C(c2ccc(OCCOCCOCCNC(=O)C(N)CCC(=O)NCCCCCCO)cc2)c2ccc(OCCOCCOCCNC(=O)C(N)CCC(=O)NCCCCCCO)cc2)cc1 |
|
AD13634 | 2.47 | 202.21 | C12H10O3 | CC(=O)Oc1ccc(O)c2ccccc12 |
|
AD13635 | 4.71 | 460.66 | C28H44O5 | CC(CC(O)C(C)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12C)=C(C)C(=O)O |
|
AD13636 | 2.25 | 160.17 | C10H8O2 | Oc1ccc(O)c2ccccc12 |
|
AD13637 | 5.09 | 410.47 | C24H26O6 | COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C |
|
AD13638 | 5.89 | 472.71 | C30H48O4 | CC(CCC(=O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C |
|
AD13639 | 2.26 | 146.19 | C7H14O3 | CCCCCCOC(=O)O |
|
AD13640 | 4.51 | 566.66 | C28H26O7N2S2 | CSCCNC(=O)CCSCC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 |