Glycoside
GD141054
Name:
2-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanenitrileFormula:
C11H19O5NSmiles:
CCC(C)(C#N)C1OC(CO)C(O)C(O)C1OAglycone:
CCC(C)C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 245.28 | Num_heavy_atoms: | 17 |
| TPSA: | 113.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD50913
Formula: C5H9N
Smiles:
CCC(C)C#N| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 83.13 | Num_heavy_atoms: | 6 |
| TPSA: | 23.79 | NumAromaticRings: | 0 |
