natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD119832 | -0.89 | 1287.45 | C63H98O27 | CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O |
|
GD119833 | 3.15 | 576.64 | C30H40O11 | CCCCCC1CCCCC1(O)C1OC(Oc2cc(C(=O)O)cc3c(O)c(C)c(C(C)=O)c(O)c23)C(O)C(O)C1O |
|
GD119834 | 16.51 | 1364.05 | C76H146O17S | CCCCCCCCCCCCCCCCCC(=O)OC1C(OC2OC(CO)C(O)C(O)C2OS(=O)(=O)O)OC(CO)C(O)C1OC(=O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(O)CCCCCCCCCCCCCCC |
|
GD119835 | 4.13 | 1385.73 | C68H124O26N2 | CCCCCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3CC(C)=O)C(OC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)C(O)CCCCCCCCCCCCCCC |
|
GD119836 | -0.45 | 430.45 | C20H30O10 | C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OCCCC)CC21 |
|
GD119837 | 1.77 | 967.07 | C45H74O22 | CCCCCCCCCCCCOC1OC(C)C(OC2OC(C)C(OC(C)=O)C(OC3OC(C)C(OC(C)=O)C(OC4OC(C)C(OC(C)=O)C(OC(C)=O)C4O)C3OC=O)C2O)C(O)C1O |
|
GD119838 | -5.55 | 400.33 | C14H24O13 | O=C(O)C1(O)CC(O)C(O)C(C(CO)OC2OC(CO)C(O)C(O)C2O)O1 |
|
GD119839 | -1.95 | 382.41 | C19H26O8 | CC=CC#CC#CC(O)C(C=CCCO)OC1OC(CO)C(O)C(O)C1O |
|
GD119840 | 8.01 | 1236.67 | C64H121O19N3 | CCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(OC2OC(C)C(O)C(O)C2O)C1N=C(C)O)C(O)C(O)CCCCCCCCCCCCC(C)C |
|
GD119841 | -1.48 | 959.09 | C47H74O20 | COC(=O)C1(C)CCC2(C(=O)OC3OCC(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |