Glycoside
GD044750
Name:
2-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrileFormula:
C11H19O6NSmiles:
C[C@@H](C#N)[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CC(O)C(C)C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 261.27 | Num_heavy_atoms: | 18 |
| TPSA: | 123.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD25080
Formula: C5H9ON
Smiles:
CC(O)C(C)C#N| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 44.02 | NumAromaticRings: | 0 |
