Glycoside
GD143293
Name:
2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetonitrileFormula:
C14H17O7NSmiles:
N#CCc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
N#CCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 311.29 | Num_heavy_atoms: | 22 |
| TPSA: | 143.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD51159
Formula: C8H7O2N
Smiles:
N#CCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 64.25 | NumAromaticRings: | 1 |
