aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05891 | 4.62 | 532.76 | C32H52O6 | CC(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO |
|
AD05892 | 0.19 | 148.15 | C7H6ON3 | OCc1ncnc2c1C=C[N]2 |
|
AD05893 | 0.59 | 196.16 | C8H8O4N2 | O=C(O)NNC(=O)C=Cc1ccco1 |
|
AD05894 | 1.3 | 148.23 | C6H12O2S | CCOC(=O)CCSC |
|
AD05895 | 1.18 | 152.15 | C8H8O3 | COC(=O)c1ccccc1O |
|
AD05896 | 11.21 | 662.1 | C42H79O4N | CCCCCCCC=CC=CCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC |
|
AD05897 | 1.02 | 443.5 | C23H29O6N3 | O=C(NCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1)c1ccc(C2CCCCC2)cc1 |
|
AD05898 | 1.93 | 443.49 | C23H23O2N8 | NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1 |
|
AD05899 | -1.65 | 2237.84 | C110H134O29N21Cl | CC(C)CC1NC(=O)CNC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CCCN)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C(CCCN)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CNC(=O)C(CC(N)=O)NC(=O)CCc2ccccc2)C(C(N)=O)OC(=O)C(c2ccc(O)c(Cl)c2)NC(=O)C(C)NC1=O |
|
AD05900 | -0.88 | 2273.87 | C113H134O29N21Cl | CC(C)CC1NC(=O)CNC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CCCN)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C(CCCN)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CNC(=O)C(CC(N)=O)NC(=O)Cc2cccc3ccccc23)C(C(N)=O)OC(=O)C(c2ccc(O)c(Cl)c2)NC(=O)C(C)NC1=O |