Glycoside
GD046943
Name:
2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic acidFormula:
C14H18O8Smiles:
O=C(O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
O=C(O)Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 314.29 | Num_heavy_atoms: | 22 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD05358
Formula: C8H8O3
Smiles:
O=C(O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
