Glycoside
GD117441
Name:
2-phenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanenitrileFormula:
C15H19O6NSmiles:
CC(C#N)(OC1OC(CO)C(O)C(O)C1O)c1ccccc1Aglycone:
CC(O)(C#N)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 309.32 | Num_heavy_atoms: | 22 |
| TPSA: | 123.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD46823
Formula: C9H9ON
Smiles:
CC(O)(C#N)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 147.18 | Num_heavy_atoms: | 11 |
| TPSA: | 44.02 | NumAromaticRings: | 1 |
