natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD120682 | -2.88 | 1149.28 | C55H88O25 | COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
|
GD120683 | 1.5 | 1035.12 | C47H70O23S | CC1(C)CCC2(C(=O)OC3OC(CO)C(OS(=O)(=O)O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C7OC(O)(C(=O)O)C(OCC(=O)O)OC7C6O)C(C)(C)C5CCC43C)C2C1 |
|
GD120684 | -1.89 | 710.68 | C33H42O17 | COc1ccc(C=CC(=O)OC2C(OC3C4C=COC(OC5OC(CO)C(O)C(O)C5O)C4C4(CO)OC34)OC(C)C(OC(C)=O)C2O)cc1 |
|
GD120685 | 0.65 | 832.96 | C39H60O17S | CC1OC(OC2C(OC3CCC4(C)C5=CC(O)C67C(=O)OC(C8CCC(C)(C)O8)C6(O)CCC7C5CCC4C3(C)C)OCC(OS(=O)(=O)O)C2O)C(O)C(O)C1O |
|
GD120686 | 0.16 | 548.45 | C25H24O14 | O=C(O)CC(=O)OCC1OC(O)C(OOc2ccc3c(c2)C2Oc4cc5c(cc4C2CO3)OCO5)C(O)C1O |
|
GD120687 | 9.87 | 824.24 | C48H89O9N | CCCCCCCC=CC=CCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCC |
|
GD120688 | -3.99 | 614.45 | C20H31O16N4P | CC(O)=NC1C(O)CC(OP(=O)(O)OCC2OC(n3ccc(=N)nc3O)C(O)C2O)(C2OO2)OC1C(O)C(O)CO |
|
GD120689 | -0.13 | 480.42 | C22H24O12 | COc1cc(C2=C(OC3OC(CO)C(O)C(O)C3O)C=C3[C](O)C=C(O)C=C3[OH+]2)cc(O)c1O |
|
GD120690 | -9.75 | 666.58 | C24H42O21 | OCC1OC(OCC2OC(OC3C(COC4OC(CO)C(O)C(O)C4O)OC(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O |
|
GD120691 | 6.22 | 1019.98 | C38H68O17N7P3S | CCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O |