natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD120082 | 0.74 | 544.64 | C27H44O11 | CC1=CCC2C(C)(COC(=O)CC(C)(O)CC(=O)O)CCCC2(C)C1COC1OC(CO)C(O)C(O)C1O |
|
GD120083 | 1.36 | 738.91 | C39H62O13 | CC1COC2(CC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |
|
GD120084 | -3.24 | 457.43 | C20H27O11N | N#CCc1ccc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)cc1 |
|
GD120085 | -2.53 | 391.42 | C11H21O10NS2 | CCC(CO)N=C(OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O |
|
GD120086 | -0.99 | 1121.32 | C55H92O23 | CC(=O)OCC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4C(C(C)(CCC=C(C)C)OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C6O)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O |
|
GD120087 | 10.4 | 966.26 | C52H87O15N | CCCCCC=CCCCCCC=CCC(OC(C)=O)C(COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)N=C(O)C(CCCCCCCCCCCCCC)OC(C)=O |
|
GD120088 | 5.33 | 915.17 | C48H82O16 | COC1CCC(OC2(C)C(O)C(C)C(O)(C(C)C(=O)O)OC2C(C)C2CC(OC)C(C)C3(CCC(C)(C4CCC(C)(C5CCC(C6OC(C)(O)C(C)C(OC)C6C)O5)O4)O3)O2)OC1C |
|
GD120089 | 0.8 | 957.12 | C48H76O19 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
|
GD120090 | -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(=CC)CC)C(OC(=O)C(C)=CC)C2O)C(OC2OC(CO)C(OC(=O)C(C)=CC)C(OC(=O)C(C)=CC)C2O)C(O)C1O |
|
GD120091 | 0.1 | 408.45 | C21H28O8 | CC1=CCC2C1=CC1=C(C)C(=O)OC1CC2(C)OC1OC(CO)C(O)C(O)C1O |