Glycoside
GD119016
Name:
2-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanenitrileFormula:
C10H17O5NSmiles:
CC(C)(C#N)C1OC(CO)C(O)C(O)C1OAglycone:
CC(C)C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 231.25 | Num_heavy_atoms: | 16 |
| TPSA: | 113.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD47636
Formula: C4H7N
Smiles:
CC(C)C#N| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 69.11 | Num_heavy_atoms: | 5 |
| TPSA: | 23.79 | NumAromaticRings: | 0 |
