aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13211 | 0.18 | 192.2 | C8H10ON5 | CC(O)CNc1ncnc2c1N=C[N]2 |
|
AD13212 | 5.17 | 488.67 | C29H44O6 | CC(=O)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12 |
|
AD13213 | 4.28 | 529.72 | C31H47O6N | CC1CCCC(OC2CCC(N(C)C)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1 |
|
AD13214 | 0.26 | 182.22 | C10H14O3 | CC1=CC(=O)C2CC1(O)C2(C)CO |
|
AD13215 | -0.4 | 246.24 | C8H10O5N2S | COS(=O)(=O)NC(=O)c1ccc(N)cc1O |
|
AD13216 | 1.17 | 138.17 | C7H10ON2 | CCc1cnc(C(C)=O)[nH]1 |
|
AD13217 | 6.6 | 428.66 | C28H44O3 | CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CCCCC3(C(=O)O)CCC21C |
|
AD13218 | 1.08 | 181.24 | C9H15ON3 | CCCCCc1c[nH]c(=O)nc1N |
|
AD13219 | 2.67 | 708.93 | C38H64O10N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCCNCc2ccccc2)CC(C)C(=O)C(C)C(O)C1(C)O |
|
AD13220 | 6.06 | 670.93 | C40H62O8 | CC=C(C)C(=O)OC1C(OC(=O)C=C(C)C)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O |