Glycoside
GD040280
Name:
[(2r,3r,4r,5r,6r)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2h-pyran-3-yl]sulfamic acidFormula:
C5H11O11NS2Smiles:
O=S(=O)(O)N[C@H]1[C@H](O)O[C@H](OS(=O)(=O)O)[C@H](O)[C@@H]1OAglycone:
NS(=O)(=O)O.O=S(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -4.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 325.27 | Num_heavy_atoms: | 19 |
| TPSA: | 199.92 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | 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 |
