Glycoside
GD076048
Name:
NoneFormula:
C13H19O10NSSmiles:
Cc1ccc(S(=O)(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[N+](=O)[O-])cc1Aglycone:
Cc1ccc([S](=O)=O)cc1Sugarmoiety:
O=[N+](O)OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 10 |
| MolWt: | 381.36 | Num_heavy_atoms: | 25 |
| TPSA: | 176.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD00423
Formula: C7H7O2S
Smiles:
Cc1ccc([S](=O)=O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.2 | Num_heavy_atoms: | 10 |
| TPSA: | 34.14 | NumAromaticRings: | 1 |
