Glycoside
GD149622
Name:
3-Methylbutanoyl-6-O-Alpha-D-Glucopyranosyl-Beta-D-FructofuranosideFormula:
C17H30O12Smiles:
CC(C)CC(=O)OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)CC(C)CSugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | -3.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 426.42 | Num_heavy_atoms: | 29 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD01663
Formula: C6H12O2
Smiles:
COC(=O)CC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
