Glycoside
GD150544
Name:
2-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}propanoic acidFormula:
C9H16O8Smiles:
CC(OC1C(CO)OC(O)C(O)C1O)C(=O)OAglycone:
CC(O)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 252.22 | Num_heavy_atoms: | 17 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD00056
Formula: C3H6O3
Smiles:
CC(O)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
