Glycoside
GD122355
Name:
4-hydroxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-2-enenitrileFormula:
C11H17O7NSmiles:
N#CC=C(CO)COC1OC(CO)C(O)C(O)C1OAglycone:
N#CC=C(CO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 275.26 | Num_heavy_atoms: | 19 |
| TPSA: | 143.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD49295
Formula: C5H7O2N
Smiles:
N#CC=C(CO)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 113.12 | Num_heavy_atoms: | 8 |
| TPSA: | 64.25 | NumAromaticRings: | 0 |
