Glycoside
GD044610
Name:
2-[(2-amino-4,5,6-trihydroxy-1-oxohexan-3-yl)oxy]propanoic acidFormula:
C9H17O7NSmiles:
C[C@@H](O[C@H]([C@@H](N)C=O)[C@H](O)[C@H](O)CO)C(=O)OAglycone:
CCC(=O)OSugarmoiety:
NC(C=O)C(OO)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 251.23 | Num_heavy_atoms: | 17 |
| TPSA: | 150.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
