Glycoside
GD050886
Name:
NoneFormula:
C11H12O6N2SSmiles:
N#Cc1sccc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
N#Cc1sccc1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 300.29 | Num_heavy_atoms: | 20 |
| TPSA: | 150.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD26759
Formula: C5H4N2S
Smiles:
N#Cc1sccc1N| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 124.17 | Num_heavy_atoms: | 8 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
