Glycoside
GD050805
Name:
NoneFormula:
C14H13O6N3Smiles:
N#Cc1ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c(C#N)c1Aglycone:
N#Cc1ccc(N)c(C#N)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 319.27 | Num_heavy_atoms: | 23 |
| TPSA: | 174.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD26743
Formula: C8H5N3
Smiles:
N#Cc1ccc(N)c(C#N)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 143.15 | Num_heavy_atoms: | 11 |
| TPSA: | 73.6 | NumAromaticRings: | 1 |
