Glycoside
GD007279
Name:
5-O-(4'-[Beta-D-Glucopyranosyl]-Trans-Feruloyl)Quinic AcidFormula:
C23H30O14Smiles:
COc1cc(C=CC(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@H](O)[C@H]2O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 8 |
| MolWt: | 530.48 | Num_heavy_atoms: | 37 |
| TPSA: | 232.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD05937
Formula: C17H20O9
Smiles:
COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 368.34 | Num_heavy_atoms: | 26 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
