aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20631 | 3.2 | 994.29 | C53H88O13N3F | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)C2(O)C(C)CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC32C)C(C)C(O)C1(C)O |
|
AD20632 | 3.24 | 322.39 | C18H20ON5 | Cc1ccccc1COC1CCCC1Nc1ncnc2c1N=C[N]2 |
|
AD20633 | 2.76 | 345.39 | C19H17ON6 | COc1cc(-c2ccccc2)ccc1CNC1=Nc2c(N)ncnc2[N]1 |
|
AD20634 | 2.31 | 232.27 | C15H10N3 | Nc1ccnc2c1C(C#Cc1ccccc1)=C[N]2 |
|
AD20635 | 3.57 | 512.65 | C29H40O6N2 | CCOC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(CO)=CCC(C(C)C)C1C=C2CO |
|
AD20636 | 0.22 | 394.1 | C7H12O10F4P2 | COP(=O)(O)OP(=O)(O)OC1OC(C(O)CO)C(F)(F)C1(F)F |
|
AD20637 | 4.5 | 488.71 | C30H48O5 | CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1 |
|
AD20638 | 5.56 | 326.52 | C20H38O3 | CCCCCCCCC=CCCCCCCCC(=O)OCCO |
|
AD20639 | 0.52 | 520.53 | C26H32O11 | COC(=O)C12OCC34C(OC(=O)CC13)C(OC(=O)C=C(C)C)C1C(C)=C(O)C(=O)CC1(C)C4C(O)C2O |
|
AD20640 | 3.27 | 509.48 | C27H19O6N5 | O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1cnccc1CO |