Glycoside
GD129081
Name:
3-oxo-3-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methoxy]propanoic acidFormula:
C10H16O9Smiles:
COC1OC(COC(=O)CC(=O)O)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)OSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 280.23 | Num_heavy_atoms: | 19 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
