natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD117592 | 1.6 | 881.09 | C42H72O17S | C=C(CC(C)=CC(O)CC(C)CC1CCC=CCCCC(O)CCCCC(O)C(O)C=CC(=O)O1)CC(O)C(O)CC1OC(CC(O)CCO)C(OS(=O)(=O)O)C(O)C1O |
|
GD117593 | 7.29 | 888.06 | C50H65O13N | COc1cc(C)c(C(O)=NC2C(C)OC(OC3CC(C)=CC4C3CC(C)C3C(C)=CCCC(C)=CC5(C)C=C(C(=O)O)C(C)CC56OC(=O)C(=C6O)C(=O)C43C)C(O)C2(C)O)c(O)c1 |
|
GD117594 | 4.31 | 977.25 | C54H80O12N4 | CC1(CO)CCC2(C(=O)O)CCC34CCC#CC(C5C(C(CCC(N)O)c6cnc[nH]6)N=C(O)C56CCCC6)C5C(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C6CCC3(C)C(CC=C4C2C1)C56C |
|
GD117595 | -0.58 | 638.62 | C30H38O15 | COC(COC1OC(CO)C(OC(=O)C=Cc2ccc(O)cc2)C(OC2OC(C)C(O)C(O)C2O)C1O)c1ccc(O)c(O)c1 |
|
GD117596 | 2.11 | 1007.17 | C49H82O21 | CC=C(C)C(=O)OC1C(C)OC(OC2C(C)OC3OC4C(OC(CO)C(O)C4O)OC4C(OC(CCCCC)CCCCCCCCCC(=O)OC2C3OC(=O)C(C)C)OC(C)C(O)C4O)C(O)C1O |
|
GD117597 | -1.16 | 313.26 | C13H15O8N | N=C(O)c1cccc(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
|
GD117598 | 1.49 | 794.98 | C42H66O14 | CC1OC(OC2C(CO)OC(OC(=O)C34CCC(C)(C)C(O)C3C3=CCC5C6(C)CC(O)C(=O)C(C)(C)C6CCC5(C)C3(C)CC4)C(O)C2O)C(O)C(O)C1O |
|
GD117599 | 1.79 | 556.61 | C27H40O12 | CC(=O)OCC1OC(OC(C)C=CC2(O)C(C)CC(=O)CC2(C)C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
|
GD117600 | 2.43 | 566.56 | C30H30O11 | COc1ccc(C=Cc2cc(O)cc(OC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)c2)cc1O |
|
GD117601 | -0.97 | 884.97 | C43H64O19 | CC(=O)OC1CC(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O |