Glycoside
GD051173
Name:
3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-5-enoic acidFormula:
C14H24O8Smiles:
CC/C=C\C[C@H](CC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CCC=CCC(O)CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 320.34 | Num_heavy_atoms: | 22 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD26831
Formula: C8H14O3
Smiles:
CCC=CCC(O)CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 158.2 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
