Glycoside
GD151875
Name:
[(5-acetamido-3,4,6-trihydroxyoxan-2-yl)methoxy]sulfonic acidFormula:
C8H15O9NSSmiles:
CC(O)=NC1C(O)OC(COS(=O)(=O)O)C(O)C1OAglycone:
COS(=O)(=O)OSugarmoiety:
CC(O)=NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 301.27 | Num_heavy_atoms: | 19 |
| TPSA: | 166.11 | NumAromaticRings: | 0 |
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 |
