aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03011 | 4.89 | 212.38 | C14H28O | CCCCCCCCCCCCCC=O |
|
AD03012 | -0.04 | 142.2 | C7H14ON2 | CN1CCCCC(N)C1=O |
|
AD03013 | 0.36 | 253.28 | C10H11O3N3S | CSc1nc2[nH]c(=O)c(C)c(O)c2c(=O)n1C |
|
AD03014 | 0.14 | 99.13 | C5H9ON | O=CNCC1CC1 |
|
AD03015 | 5.37 | 589.86 | C15H10O5Br4 | O=C(CCc1cc(Br)c(O)c(Br)c1)c1c(O)c(Br)c(O)c(Br)c1O |
|
AD03016 | 2.29 | 316.27 | C16H12O7 | COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12 |
|
AD03017 | 5.0 | 692.93 | C39H64O10 | CC=CC1OC(O)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(CC)C(O)C(C)CC(C)=CC=CC2OC)CC(O)C1C |
|
AD03018 | 1.38 | 290.28 | C11H8O3N5S | O=S(=O)(O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD03019 | 3.39 | 289.76 | C17H16O2NCl | CC(=O)NCCc1ccc(O)cc1-c1cccc(Cl)c1 |
|
AD03020 | 3.64 | 218.68 | C14H11OCl | Oc1ccc(Cc2ccccc2Cl)cc1 |