Glycoside
GD128974
Name:
Russelioside EFormula:
C57H86O21Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CC(OC(=O)c3ccccc3)C3(C)C(C(C)OC(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1Aglycone:
CC(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 21 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 16 |
| MolWt: | 1107.29 | Num_heavy_atoms: | 78 |
| TPSA: | 275.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD05192
Formula: C30H40O6
Smiles:
CC(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 496.64 | Num_heavy_atoms: | 36 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
