natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD120012 | 2.3 | 817.79 | C39H47O18N | C=CC1C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)OC=C(C(=O)OC)C1CC1c2cc(OC(C)=O)c(OC(C)=O)cc2CCN1C(C)=O |
|
GD120013 | -1.36 | 1275.39 | C61H94O28 | CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C=O)C4CCC32C)C2CC(C)(C)C(OC(=O)CC(C)C)C(OC(C)=O)C12CO |
|
GD120014 | -1.1 | 1173.35 | C58H92O24 | CC=C(C)C(=O)C1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO |
|
GD120015 | 4.62 | 977.25 | C54H80O12N4 | CC1(CO)CCC2(C(=O)O)CCC34CCC5=CC(C6C(C(CCC(N)O)c7cnc[nH]7)N=C(O)C67CCCC7)C6C(O)C(OC7OCC(O)C(O)C7O)C(C)(CO)C7CCC3(C)C5(CC=C4C2C1)C67C |
|
GD120016 | -1.94 | 1069.14 | C53H64O16N8 | CNC(=N)NC1CC2CCC3(C4=CNC(N)C=C4)C(CCO)CCc4c5c(c(O)c1c4C23)C(=O)c1c(OC2OC(O)(C(O)O)C(O)(CC(CN3C(=O)C=CC3=O)C3=CCNC(N)=C3)C(O)C2O)cc(OC)c(CO)c1C5=O |
|
GD120017 | -0.04 | 929.06 | C46H72O19 | COC1(C(=O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C(C)=O)CC(C)CO1 |
|
GD120018 | 0.02 | 871.02 | C41H74O19 | CCCCCC(CCCCCCCCCC(=O)OC)OC1OC(C)C(OC2OC(C)C(OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O |
|
GD120019 | 5.91 | 561.89 | C35H63O4N | CC(CC(O)C(O)C(O)C(O)CN)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C |
|
GD120020 | -1.14 | 598.55 | C27H34O15 | COc1cc(C=CC(=O)OCC2OC(OC3OC=C(C(=O)O)C4C(O)CC(C)(O)C34)C(O)C(O)C2O)cc(OC)c1O |
|
GD120021 | -1.71 | 536.62 | C25H44O12 | CC1=C(CCC(C)OC2OC(CO)C(O)C(O)C2O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)C1 |