Glycoside
GD042387
Name:
LinamarinFormula:
C10H17O6NSmiles:
CC(C)(C#N)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1OAglycone:
CC(C)(O)C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 247.25 | Num_heavy_atoms: | 17 |
| TPSA: | 123.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD05031
Formula: C4H7ON
Smiles:
CC(C)(O)C#N| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 44.02 | NumAromaticRings: | 0 |
