natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD115013 | 1.02 | 1343.47 | C68H94O27 | CC(=O)OC1C(OC2OCC(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2O)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO |
|
GD115014 | 0.58 | 897.02 | C45H68O18 | C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(C(=O)O)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
|
GD115015 | -1.15 | 1089.28 | C54H88O22 | C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C12 |
|
GD115016 | -3.78 | 622.62 | C27H42O16 | CCC(C)C(=O)OC1OC=C(COC2OC(COC3OC(CO)C(O)C(O)C3O)CC(O)C2O)C2C3OC3C(O)(CO)C12 |
|
GD115017 | -0.26 | 1173.22 | C55H80O27 | CC=C(C)C(=O)OCC1OC(OC2OC(COC(=O)C(C)=CC)C(O)C(O)C2OC2OC(CO)C(OC(=O)C(C)=CC)C(OC(=O)C(=CC)CC)C2O)C(OC2OC(CO)C(OC(=O)C(C)=CC)C(OC(=O)C(C)=CC)C2O)C(O)C1O |
|
GD115018 | 0.98 | 546.48 | C26H26O13 | CC=C(C)C(=O)OCC1OC(Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O |
|
GD115019 | 6.1 | 532.81 | C33H56O5 | CC(C)C(C)CCC(C)C1CCC2C3=CCC4CC(OC5OCC(O)C(O)C5O)CCC4(C)C3CCC21C |
|
GD115020 | -0.67 | 496.47 | C23H28O12 | CC1C(OC(=O)c2ccc(O)cc2)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21 |
|
GD115021 | 2.27 | 1019.02 | C48H62O22N2 | CC(=O)OCC1OC(OCC2OC(O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3N=C(C)O)C(OCc3ccccc3)C2OCc2ccccc2)C(N=C(C)O)C(OC(C)=O)C1OC(C)=O |
|
GD115022 | -13.32 | 1276.16 | C48H81O36N3 | CC(O)=NC1C(OCC2OC(OC3C(CO)OC(OC4C(O)C(O)OC(CO)C4O)C(N=C(C)O)C3O)C(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3N=C(C)O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O |