aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03581 | 5.8 | 442.64 | C28H42O4 | C=C(C(=O)CC(C)C1=C(O)C(=O)C2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C |
|
AD03582 | 2.68 | 244.25 | C14H12O4 | Oc1cc(O)cc(C=Cc2ccc(O)cc2O)c1 |
|
AD03583 | 5.3 | 302.79 | C15H11N4ClS | Cc1[nH]c(=S)c(C#N)c(C)c1N=Nc1ccc(Cl)cc1 |
|
AD03584 | -5.31 | 732.64 | C27H41O14N8P | Cc1cn(C2CC(O)C(COP(=O)(O)OC3CC(n4ccc(=O)[nH]c4=O)OC3C(=O)NCCNC3C(O)C(N)CC(N)C3O)O2)c(=O)[nH]c1=O |
|
AD03585 | 2.89 | 224.25 | C12H10N5 | Cc1ccc(-c2cc3c(c(N)n2)N=N[N]3)cc1 |
|
AD03586 | 3.5 | 299.37 | C18H21O3N | CCOc1ccc(CCC(=O)c2c(N)cc(C)cc2O)cc1 |
|
AD03587 | 0.67 | 151.17 | C5H3N4S | Sc1ncnc2c1N=C[N]2 |
|
AD03588 | 5.69 | 735.0 | C43H64O7N3 | CCC1CCCC(OC2CCC(N(C)CCCCCC[n+]3cccc(C(N)=O)c3)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1 |
|
AD03589 | 3.8 | 735.82 | C38H37O7N7S | CCC1(OC(=O)C(NC(=O)C(Cc2c[nH]cn2)NC(=S)Nc2ccc(O)cc2)C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 |
|
AD03590 | -1.4 | 826.93 | C38H66O19 | CCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(OCC3OC(OC4C(O1)OC(C)C(O)C4O)C(O)C(O)C3O)OC(C)C(O)C2O |