Glycoside
GD045543
Name:
3,4,5-trihydroxy-6-(1-phenylethoxy)oxane-2-carboxylic acidFormula:
C14H18O7Smiles:
C[C@@H](O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O)c1ccccc1Aglycone:
CC(O)c1ccccc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 298.29 | Num_heavy_atoms: | 21 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD07101
Formula: C8H10O
Smiles:
CC(O)c1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
