Glycoside
GD011606
Name:
NoneFormula:
C12H13O6NF2Smiles:
C#CC1(O)C=CN([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C(=O)C1(F)FAglycone:
C#CC1(O)C=CNC(=O)C1(F)FSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 305.23 | Num_heavy_atoms: | 21 |
| TPSA: | 110.46 | NumAromaticRings: | 0 |
Unique Aglycone
AD08854
Formula: C7H5O2NF2
Smiles:
C#CC1(O)C=CNC(=O)C1(F)F| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 173.12 | Num_heavy_atoms: | 12 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
