Glycoside
GD117429
Name:
2-[4-(propan-2-yl)phenyl]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrileFormula:
C17H23O6NSmiles:
CC(C)c1ccc(C(C#N)OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
CC(C)c1ccc(C(O)C#N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 337.37 | Num_heavy_atoms: | 24 |
| TPSA: | 123.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD46817
Formula: C11H13ON
Smiles:
CC(C)c1ccc(C(O)C#N)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 175.23 | Num_heavy_atoms: | 13 |
| TPSA: | 44.02 | NumAromaticRings: | 1 |
