aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00991 | -0.21 | 96.02 | CH5O3P | CP(=O)(O)O |
|
AD00992 | 3.22 | 175.36 | C10H23S | CCCCCC(CC)[S+](C)C |
|
AD00993 | 2.64 | 630.72 | C30H44O8N7 | COC(=O)C(NC(=O)C(CCCCNC(=O)OCC1=C[N]N=N1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C |
|
AD00994 | 0.3 | 213.3 | C6H13O4S2 | COCCCSCCS(=O)(=O)[O-] |
|
AD00995 | -0.35 | 199.27 | C5H11O4S2 | O=S(=O)([O-])CCSCCCO |
|
AD00996 | 0.07 | 144.22 | C7H16ON2 | CCN(CC)CCNC=O |
|
AD00997 | 3.55 | 439.59 | C23H35O6S | C=C1CC23CCC4C(C)(C(=O)OCCCS(=O)(=O)[O-])CCCC4(C)C2CCC1(O)C3 |
|
AD00998 | 2.48 | 376.41 | C20H24O7 | CC=C(C)C(=O)OC(C(O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O |
|
AD00999 | 1.65 | 267.32 | C14H15N6 | CN(CCc1ccccc1)c1nc(N)c2c(n1)[N]C=N2 |
|
AD01000 | 8.91 | 1435.29 | C74H69O19N9Cl2 | CCCCCCCCCCOCc1cn(C2C(=O)NC3Cc4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(=O)C5NC(=O)C(NC3=O)c3cc(O)cc(c3)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)OC)NC4=O)nn1 |