Glycoside
GD039595
Name:
propan-2-yl 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranosideFormula:
C9H19O11NS2Smiles:
CC(C)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@@H]1NS(=O)(=O)OAglycone:
COS(=O)(=O)O.NS(=O)(=O)OSugarmoiety:
CC(C)OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 381.38 | Num_heavy_atoms: | 23 |
| TPSA: | 188.92 | 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 |
AD00083
Formula: H3O3NS
Smiles:
NS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.09 | Num_heavy_atoms: | 5 |
| TPSA: | 80.39 | NumAromaticRings: | 0 |
