Glycoside
GD114388
Name:
2-{[2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acidFormula:
C9H18O10NPSmiles:
CC(OC(C(N)C=O)C(O)C(O)COP(=O)(O)O)C(=O)OAglycone:
CCC(=O)OSugarmoiety:
NC(C=O)C(OO)C(O)C(O)COP(=O)(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 331.21 | Num_heavy_atoms: | 21 |
| TPSA: | 196.84 | 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 |
