aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23431 | 1.98 | 342.32 | C16H17O3N2F3 | CC(C#Cc1ccc(C(F)(F)F)c(C(N)=O)c1)CCC(N)C(=O)O |
|
AD23432 | 1.11 | 286.33 | C16H18O3N2 | CC(C#Cc1ccc2c(c1)C(=O)NC2)CCC(N)C(=O)O |
|
AD23433 | 1.39 | 1156.29 | C51H91O19N7FP | O=C(CCCC(=O)NC(COCCC(=O)NCCCCCCO)(COCCC(=O)NCCCCCCO)COCCC(=O)NCCCCCCO)NCCCCCCOP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O |
|
AD23434 | 2.85 | 400.43 | C22H24O7 | COCC(=O)C=Cc1cc(OC)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2 |
|
AD23435 | -3.03 | 349.43 | C15H31O6N3 | CCCC1C(CO)OC(OC2C(N)CC(N)C(O)C2O)C(N)C1O |
|
AD23436 | 0.04 | 172.17 | C8H6N5 | CC#CC1=N[N]c2ncnc(N)c21 |
|
AD23437 | 0.58 | 378.37 | C14H14O5N6S | COc1cc(NS(=O)(=O)c2ccc(-n3cc(O)nn3)cc2)nc(OC)n1 |
|
AD23438 | 1.76 | 242.29 | C11H8N5S | Nc1ncnc2c1C(Sc1ccccc1)=N[N]2 |
|
AD23439 | 3.39 | 284.35 | C18H20O3 | CCCc1ccc(C(=O)Oc2ccc(CCO)cc2)cc1 |
|
AD23440 | 2.84 | 268.31 | C17H16O3 | O=C(C=Cc1ccccc1)Oc1ccc(CCO)cc1 |