aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04841 | 2.98 | 215.32 | C13H13NS | c1csc(C2NCCc3ccccc32)c1 |
|
AD04842 | 1.07 | 207.27 | C12H17O2N | CC(=O)N(CCO)CCc1ccccc1 |
|
AD04843 | -1.26 | 214.3 | C7H14N6S | Cn1cc(CNC(=S)NCCN)nn1 |
|
AD04844 | 3.51 | 542.74 | C28H46O8S | CC(C)C(C)C1OC1C(C)(O)C1C(O)CC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C |
|
AD04845 | -7.23 | 2437.51 | C93H160O39N27P3S2 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OC1CC(=O)N(CCOCCOCCOCCN2C(=O)CC(SC(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CCCCC3SCC4NC(=O)NC43)C(C)C)C(=O)O)C2=O)C1=O |
|
AD04846 | -5.48 | 2184.28 | C86H149O32N26P3S | COP(=O)(O)OP(=O)(O)OP(=O)(O)OCCC(=O)NCC(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)CNC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O |
|
AD04847 | 1.13 | 314.06 | C4H13O10P3 | CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O |
|
AD04848 | 1.44 | 274.15 | C7H16O7P2 | COP(=O)(O)OC(C1CCCC1)P(=O)(O)O |
|
AD04849 | 0.04 | 179.15 | C9H7O4 | O=C([O-])C(O)=Cc1ccc(O)cc1 |
|
AD04850 | 0.54 | 172.18 | C8H12O4 | CC=CCOC(=O)C=C(O)CO |