aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14331 | 0.52 | 255.26 | C5H10O3N3PS2 | COP(=S)(NN1C(=N)SCC1=O)OC |
|
AD14332 | -0.03 | 257.25 | C9H8O3N3FS | CNS(=O)(=O)c1n[nH]c2ccc(F)cc2c1=O |
|
AD14333 | 6.57 | 614.89 | C37H60O6N | CCC[N+](CCC)(CCC)CCCC(=O)OC1CCCC(CC)OC(=O)CC2C(=CC3C2C=CC2CC(O)CC23)C(=O)C1C |
|
AD14334 | -13.03 | 1285.16 | C51H80O37 | OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(COCCCOc6ccc(O)cc6)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O |
|
AD14335 | 3.34 | 398.5 | C24H30O5 | CC12CCC3C(CCC4=CC(O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1 |
|
AD14336 | 1.59 | 252.26 | C13H10ON5 | CC(=O)c1cccc(C2=Nc3c(N)ncnc3[N]2)c1 |
|
AD14337 | -0.9 | 227.2 | C7H18O5NP | COP(=O)(O)CCN(CCO)CCO |
|
AD14338 | -0.18 | 100.12 | C4H8ON2 | NC(=O)NC1CC1 |
|
AD14339 | 3.02 | 354.31 | C19H14O7 | CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(O)cc3o2)cc1 |
|
AD14340 | 2.0 | 169.15 | C8H8O2NF | COC(=O)Nc1cccc(F)c1 |