Glycoside
GD135812
Name:
3-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrileFormula:
C11H17O6NSmiles:
CC(C)=C(C#N)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=C(O)C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 259.26 | Num_heavy_atoms: | 18 |
| TPSA: | 123.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD54078
Formula: C5H7ON
Smiles:
CC(C)=C(O)C#N| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 44.02 | NumAromaticRings: | 0 |
