natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD116023 | 11.74 | 815.27 | C51H90O7 | CCCCCCCCCCCCC(C)CCC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCC(C)C(C)C)CCC43)C2)C(O)C(O)C1O |
|
GD116024 | 1.85 | 875.06 | C44H74O17 | COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(O)C3(C)C(O)(C(C)OC(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1 |
|
GD116025 | -2.17 | 1067.12 | C53H62O16N8 | CNC(=N)NC1CC2C=CC3(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 |
|
GD116026 | -1.09 | 624.55 | C28H32O16 | COc1c(O)cc(-c2oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c(=O)c2OC)cc1OC1OCC(O)C(O)C1O |
|
GD116027 | 0.29 | 1073.23 | C53H84O22 | CC1OC(OC2C(CO)OC(OC3C(C(=O)O)OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)O)CCC56C)C4(C)C)C(O)C3O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O |
|
GD116028 | 5.01 | 1185.45 | C61H100O22 | COC1CC2(COC3CC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)OC(C)C3OO2)OC(C)C1OC1CC(O)C(OC2CCC(OC3CC(OC)C(OC4OC(C)C(O)C(OC)C4O)C(C)O3)C(C)O2)C(C)O1 |
|
GD116029 | -4.13 | 1073.01 | C48H64O27 | CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(OC2OC(COC(=O)CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3=CC)C(O)C(O)C2O)cc1 |
|
GD116030 | -3.81 | 1167.3 | C55H90O26 | CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |
|
GD116031 | 3.32 | 638.84 | C35H58O10 | COC1CC(OC(C)C2(O)CCC3C4C=CC5CC(OC6OC(C)C(O)C(OC)C6O)CCC5(C)C4CCC32C)OC(C)C1O |
|
GD116032 | 0.49 | 534.51 | C26H30O12 | COc1cc(C(O)C(=O)OCC2OC(OCCCC3OC(=O)c4ccccc43)C(O)C(O)C2O)ccc1O |