natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD121342 | 1.86 | 925.98 | C47H59O18N | COC(=O)C(O)(c1cc2c(c3oc(C4(C)OC4C)cc(=O)c13)C(=O)c1c(ccc(C3CC(C)(N(C)C)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)c1O)C2=O)C1OC(C)C(O)C(OC)C1O |
|
GD121343 | 0.04 | 943.09 | C47H74O19 | CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CCOC5=O)C(O)CC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1 |
|
GD121344 | -0.98 | 654.63 | C28H38O14N4 | CNC(=N)NCOc1cc(C(=O)O)c(NC(C)CO)cc1OC1OC(COC(=O)c2cc(OC)c(O)c(OC)c2)C(O)C(O)C1O |
|
GD121345 | 2.59 | 871.89 | C45H49O15N3 | CNC(CCO)C(C(=O)O)C(=O)OC(O)C1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(On2cc3cc[nH]c3c2-c2cc(C)cc(CCCCO)c2)C(O)C1O |
|
GD121346 | -9.91 | 853.77 | C32H55O25N | CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C1O |
|
GD121347 | 0.51 | 935.0 | C46H58O15N6 | COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4OC4OC(CO)C(O)C(O)C4O)CC(C(O)=NC(C)C(O)=NC(CO)C(=O)N2C)N(C)C3=O)cc1 |
|
GD121348 | 0.08 | 462.45 | C23H26O10 | O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2ccc(CCO)cc2O)C(O)C(O)C1O |
|
GD121349 | -2.57 | 490.46 | C21H30O13 | COC(=O)c1c(C)cc(OC)cc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O |
|
GD121350 | 1.08 | 810.98 | C42H66O15 | COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
|
GD121351 | 2.48 | 617.65 | C34H35O10N | COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c3c(c2c1)C=CC1CCCC31 |