Glycoside
GD037756
Name:
2-(acetylamino)-3-o-[(1r)-1-carboxyethyl]-2-deoxy-6-o-phosphono-d-glucitolFormula:
C11H22O11NPSmiles:
CC(=O)N[C@@H](CO)[C@@H](O[C@H](C)C(=O)O)[C@@H](O)[C@@H](O)COP(=O)(O)OAglycone:
CC(=O)NCCO.CCC(=O)OSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 11 |
| MolWt: | 375.27 | Num_heavy_atoms: | 24 |
| TPSA: | 203.08 | 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 |
AD03730
Formula: C4H9O2N
Smiles:
CC(=O)NCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
