Glycoside
GD050848
Name:
NoneFormula:
C15H17O6NSmiles:
C#Cc1ccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc1Aglycone:
C#Cc1ccc(CN)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 307.3 | Num_heavy_atoms: | 22 |
| TPSA: | 127.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD26751
Formula: C9H9N
Smiles:
C#Cc1ccc(CN)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 131.18 | Num_heavy_atoms: | 10 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
