Glycoside
GD151814
Name:
3-methyl-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxirane-2-carbonitrileFormula:
C11H17O7NSmiles:
CC1(COC2OC(CO)C(O)C(O)C2O)OC1C#NAglycone:
CC1(CO)OC1C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 275.26 | Num_heavy_atoms: | 19 |
| TPSA: | 135.7 | NumAromaticRings: | 0 |
Unique Aglycone
AD60506
Formula: C5H7O2N
Smiles:
CC1(CO)OC1C#N| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 113.12 | Num_heavy_atoms: | 8 |
| TPSA: | 56.55 | NumAromaticRings: | 0 |
