Glycoside
GD044902
Name:
NoneFormula:
C11H18O6N2Smiles:
CC(C)(C#N)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CC(C)(C#N)C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.27 | Num_heavy_atoms: | 19 |
| TPSA: | 143.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD25130
Formula: C5H8ON2
Smiles:
CC(C)(C#N)C(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.13 | Num_heavy_atoms: | 8 |
| TPSA: | 66.88 | NumAromaticRings: | 0 |
