aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20271 | 3.64 | 268.38 | C14H20O3S | COc1c(C)c(O)c(C)c(C(C)C)c1C(=O)SC |
|
AD20272 | 2.26 | 221.64 | C12H8O2NCl | CC(=O)C=C1C(=O)Nc2ccc(Cl)cc21 |
|
AD20273 | 9.03 | 1757.65 | C84H101O16N11Cl6S3 | CNC(=O)NC(CCC(=O)NCCOCCOCCNS(=O)(=O)c1cccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)c1)(CCC(=O)NCCOCCOCCNS(=O)(=O)c1cccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)c1)CCC(=O)NCCOCCOCCNS(=O)(=O)c1cccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)c1 |
|
AD20274 | 5.31 | 292.83 | C17H17OClS | Clc1sccc1Cc1ccc(OC2CCCC2)cc1 |
|
AD20275 | 4.55 | 236.77 | C14H13ClS | CCc1ccc(Cc2ccsc2Cl)cc1 |
|
AD20276 | 4.97 | 295.25 | C14H15SBr | CCc1ccc(Cc2scc(Br)c2C)cc1 |
|
AD20277 | 1.95 | 305.36 | C15H15O4NS | COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 |
|
AD20278 | 6.36 | 460.74 | C30H52O3 | CC(C)C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C |
|
AD20279 | 3.29 | 583.82 | C30H57O6N5 | CCCCCCCC(=O)NCCCCC(N)C(=O)NC(CCCCNC(=O)CCCCCCC)C(=O)NCC(=O)O |
|
AD20280 | 1.61 | 541.59 | C26H39O11N | CCC(=O)OC1CC(=O)OC(C)CC2OC(=O)NC2C=CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC |