natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD116912 | 2.9 | 664.88 | C37H60O10 | COC1OC(C=C(C)C)C(O)C1C1CCC2(C)C3CCC4C(C)(CO)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C |
|
GD116913 | -0.16 | 670.74 | C34H44O11N3 | CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)C(O)C(O)C(O)CO)C(C)(CCC1CN=C(O)C1)O2 |
|
GD116914 | -1.19 | 496.38 | C21H20O14 | O=C1c2c(O)cc(O)cc2OC(c2cc(O)c(O)c(O)c2)C1OC1OC(C(=O)O)C(O)C(O)C1O |
|
GD116915 | -0.83 | 492.48 | C24H28O11 | O=C(C=Cc1ccc(O)cc1)OC1C=C(CO)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12 |
|
GD116916 | 0.92 | 913.11 | C47H76O17 | CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC6=C(CCC7C6CCC6C(C)(C)C(O)CCC76C)C4(C)CC(C)(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
|
GD116917 | -2.15 | 444.48 | C21H32O10 | CCCC#CC#CCCCOC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O |
|
GD116918 | -1.31 | 1077.22 | C52H84O23 | COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(O)C6(C)C(C(C)=O)CC(O)C76O)C5)OC4C)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O |
|
GD116919 | 0.73 | 736.72 | C35H44O17 | COc1ccc(CCOC2OC(CO)C(OC(=O)C=Cc3ccc(O)c(OC)c3)C(OC3OC(C)C(OC(C)=O)C(O)C3OC(C)=O)C2O)cc1O |
|
GD116920 | 3.28 | 634.85 | C36H58O9 | CC(CC=CC(C)(C)O)C1CCC2(C)C3C(OC4OC(CO)C(O)C(O)C4O)C=C4C(CCC(O)C4(C)C)C3(C=O)CCC12C |
|
GD116921 | 8.1 | 1129.74 | C61H77O15N4Cl | CCC1CC2(C)C=C(C(=O)O)C(C)C3(C2)N=C(O)C(=C3O)C(=O)C2(C)C(C=CC3C(OC4CCC(OC5CC(C)(O)C(OC6CC(OC(=O)C7=NC8=Nc9ccc(Cl)cc9C8=C7)C(N)C(C)O6)C(C)O5)C(C)O4)CCCC32)CC1O |