Glycoside
GD131287
Name:
2-[(6-hydroperoxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-(4-hydroxyphenyl)acetonitrileFormula:
C13H15O8NSmiles:
N#CC(OC1OC(OO)C(O)C(O)C1O)c1ccc(O)cc1Aglycone:
N#CC(O)c1ccc(O)cc1Sugarmoiety:
OOC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 313.26 | Num_heavy_atoms: | 22 |
| TPSA: | 152.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD10967
Formula: C8H7O2N
Smiles:
N#CC(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 64.25 | NumAromaticRings: | 1 |
