Glycoside
GD123431
Name:
3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrileFormula:
C11H19O6NSmiles:
CC(C)(CC#N)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)(O)CC#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 261.27 | Num_heavy_atoms: | 18 |
| TPSA: | 123.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD49809
Formula: C5H9ON
Smiles:
CC(C)(O)CC#N| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 44.02 | NumAromaticRings: | 0 |
