Glycoside
GD116824
Name:
2-phenyl-2-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}acetonitrileFormula:
C14H17O6NSmiles:
N#CC(OC1C(CO)OC(O)C(O)C1O)c1ccccc1Aglycone:
N#CC(O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 295.29 | Num_heavy_atoms: | 21 |
| TPSA: | 123.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD02610
Formula: C8H7ON
Smiles:
N#CC(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 44.02 | NumAromaticRings: | 1 |
