aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12971 | 4.06 | 490.73 | C30H50O5 | CC1(C)CCC2(CO)C(O)CC3(C)C(=CC(O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD12972 | 10.32 | 528.93 | C35H60OS | CCC(C=CC(C)C1CCC2C3CC=C4CC(OCCCCCCS)CCC4(C)C3CCC12C)C(C)C |
|
AD12973 | 3.87 | 369.49 | C20H29ON6 | CCCCCCCCCCCC(=O)NC1=NN(C)c2ncnc3c2C1=C[N]3 |
|
AD12974 | 0.25 | 359.38 | C19H21O6N | C=CC1C(O)OC=C(C(=O)[O-])C1C=Cc1ccc[n+](CCCC(=O)O)c1 |
|
AD12975 | 2.35 | 259.34 | C13H19N6 | Nc1nc(NCCC2CCCCC2)nc2c1N=C[N]2 |
|
AD12976 | 3.01 | 182.26 | C11H18O2 | CC=CC=C(O)C(=O)C(CC)CC |
|
AD12977 | -0.12 | 417.41 | C21H23O8N | C=CC1C(=CCc2cc(C(=O)[O-])c[n+](CCCC(=O)O)c2)C(C(=O)OC)=COC1O |
|
AD12978 | -1.12 | 2241.87 | C110H138O29N21Cl | CC(C)C=CC=CCC(=O)NC(CC(N)=O)C(=O)NCC1C(=O)NC(c2ccc(O)cc2)C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(c2ccc(O)cc2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c2ccc(O)c(Cl)c2)C(=O)OC1C(N)=O |
|
AD12979 | 5.93 | 387.11 | C16H8N2Cl2SBr | Clc1cc2c(cc1Cl)N=C(SCc1ccc(Br)cc1)[N]2 |
|
AD12980 | 2.9 | 386.49 | C23H30O5 | CC12CCC(O)CC1CCC13OC14CC1OC1(C1=CC(=O)OC1)C4(C)CCC23 |