Glycoside
GD039353
Name:
4-(beta-d-glucopyranosyloxy)-2,2-dihydroxybutyl propanoateFormula:
C13H24O10Smiles:
CCC(=O)OCC(O)(O)CCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1OAglycone:
CCC(=O)OCC(O)(O)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | -3.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 340.32 | Num_heavy_atoms: | 23 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD24367
Formula: C7H14O5
Smiles:
CCC(=O)OCC(O)(O)CCO| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 178.18 | Num_heavy_atoms: | 12 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
