Glycoside
GD022608
Name:
NoneFormula:
C12H17O9NSSmiles:
Nc1ccc(O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
COS(=O)(=O)O.Nc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 351.33 | Num_heavy_atoms: | 23 |
| TPSA: | 168.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD15310
Formula: C6H7ON
Smiles:
Nc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 109.13 | Num_heavy_atoms: | 8 |
| TPSA: | 46.25 | NumAromaticRings: | 1 |
