Glycoside
GD058543
Name:
NoneFormula:
C14H15O6N2FSmiles:
N#Cc1ccc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1FAglycone:
N#Cc1ccc(CN)cc1FSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 326.28 | Num_heavy_atoms: | 23 |
| TPSA: | 150.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD29253
Formula: C8H7N2F
Smiles:
N#Cc1ccc(CN)cc1F| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.16 | Num_heavy_atoms: | 11 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
