Glycoside
GD040211
Name:
(2s,3r)-3-{[(2s,3r,4r,5r,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}-2-aminobutanoic acid (non-preferred name)Formula:
C12H22O8N2Smiles:
CC(=O)N[C@@H]1[C@@H](O[C@H](C)[C@@H](N)C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1OAglycone:
CC(O)C(N)C(=O)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -3.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 322.31 | Num_heavy_atoms: | 22 |
| TPSA: | 171.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD02859
Formula: C4H9O3N
Smiles:
CC(O)C(N)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 119.12 | Num_heavy_atoms: | 8 |
| TPSA: | 83.55 | NumAromaticRings: | 0 |
