Glycoside
GD050896
Name:
NoneFormula:
C12H14O6N2SSmiles:
Cc1cc(C#N)c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)s1Aglycone:
Cc1cc(C#N)c(N)s1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 314.32 | Num_heavy_atoms: | 21 |
| TPSA: | 150.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD26762
Formula: C6H6N2S
Smiles:
Cc1cc(C#N)c(N)s1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 138.2 | Num_heavy_atoms: | 9 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
