aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20961 | 4.41 | 544.73 | C32H48O7 | CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3(O)OC(C(=O)C4OC4(C)C)C(C)C3C12C |
|
AD20962 | 5.05 | 528.73 | C32H48O6 | CC(=O)OC(C1CC(C)C2=C(O1)C(O)C1(C)C3=CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)O |
|
AD20963 | 4.95 | 399.81 | C19H23O5NPCl | CCCCOC(=O)C(C)NP(=O)(OC)Oc1ccc(Cl)c2ccccc12 |
|
AD20964 | 3.58 | 325.3 | C13H8ON4F3S | FC(F)(F)Oc1ccc(CSc2ncnc3c2N=C[N]3)cc1 |
|
AD20965 | 2.5 | 650.74 | C35H38O5N8 | CNC(=O)C(CNC(=O)C(N)Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Nc1cccc(C(C)=O)c1 |
|
AD20966 | 0.76 | 204.21 | C9H10ON5 | Nc1nc(OCC2CC2)nc2c1N=C[N]2 |
|
AD20967 | 1.96 | 245.31 | C12H17N6 | Nc1nc2c(c(NCC3CCCCC3)n1)N=C[N]2 |
|
AD20968 | 1.63 | 326.35 | C18H18O4N2 | NC(=O)CN(Cc1ccccc1)C(=O)C=Cc1ccc(O)c(O)c1 |
|
AD20969 | 2.36 | 96.17 | C7H12 | C=CC1CCCC1 |
|
AD20970 | -1.89 | 301.3 | C12H19O6N3 | CN(O)CCC1C(O)C(CO)OC1n1ccc(=O)[nH]c1=O |