Glycoside
GD142433
Name:
2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetonitrileFormula:
C14H17O6NSmiles:
N#CCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
N#CCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 295.29 | Num_heavy_atoms: | 21 |
| TPSA: | 123.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD01036
Formula: C8H7ON
Smiles:
N#CCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 44.02 | NumAromaticRings: | 1 |
