Glycoside
GD070008
Name:
NoneFormula:
C17H22O6N2Smiles:
CCc1cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc(CC)c1C#NAglycone:
CCc1cc(N)cc(CC)c1C#NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 350.37 | Num_heavy_atoms: | 25 |
| TPSA: | 150.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD33164
Formula: C11H14N2
Smiles:
CCc1cc(N)cc(CC)c1C#N| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.25 | Num_heavy_atoms: | 13 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
