aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11541 | -3.11 | 220.22 | C8H16O5N2 | CC(=O)NC1C(O)OC(CO)C(N)C1O |
|
AD11542 | 1.07 | 127.19 | C7H13ON | CC(C)CC=CC(N)=O |
|
AD11543 | 1.48 | 420.38 | C22H16O7N2 | Cc1cc(O)c2c(c1)C1NC(=O)CC(C(=O)O)N1C1=C2C(=O)c2cccc(O)c2C1=O |
|
AD11544 | 2.86 | 450.32 | C17H24O10P2 | COc1c(C)c2c(c(O)c1CC=C(C)COP(=O)(O)CP(=O)(O)OC)C(=O)OC2 |
|
AD11545 | 0.84 | 332.36 | C16H20O4N4 | COc1c(C)c2c(c(O)c1CCNCc1cn(C)nn1)C(=O)OC2 |
|
AD11546 | -0.65 | 148.14 | C7H6ON3 | CC#CC1=C[N]N=C1C(N)=O |
|
AD11547 | 3.86 | 444.61 | C27H40O5 | CC1CCC2(OC1)OC1CC3C4C(=O)C=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C |
|
AD11548 | 6.21 | 693.53 | C26H30O3N4F13 | CC(C)(C)[N+]([O-])=Cc1ccc(C(=O)NCCCCC([NH])C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 |
|
AD11549 | -0.52 | 188.23 | C8H16O3N2 | CN(C)CCN(C)C(=O)CC(=O)O |
|
AD11550 | 4.21 | 788.0 | C41H65O10N5 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cnc4ncccc43)C(=O)OC12C |