Glycoside
GD076493
Name:
NoneFormula:
C15H20O8N2SSmiles:
C[C@H](C#N)S(=O)(=O)Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(C#N)S(=O)(=O)Nc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 388.4 | Num_heavy_atoms: | 26 |
| TPSA: | 169.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD35266
Formula: C9H10O3N2S
Smiles:
CC(C#N)S(=O)(=O)Nc1ccc(O)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 226.26 | Num_heavy_atoms: | 15 |
| TPSA: | 90.19 | NumAromaticRings: | 1 |
