Glycoside
GD009231
Name:
NoneFormula:
C13H15O6NSSmiles:
C#Cc1csc(C(=O)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
C#Cc1csc(C(N)=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 313.33 | Num_heavy_atoms: | 21 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD07257
Formula: C7H5ONS
Smiles:
C#Cc1csc(C(N)=O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.19 | Num_heavy_atoms: | 10 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
