Glycoside
GD131921
Name:
{5-acetamido-4,6-dihydroxy-2-[(sulfooxy)methyl]oxan-3-yl}oxidanesulfonic acidFormula:
C8H15O12NS2Smiles:
CC(O)=NC1C(O)OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OAglycone:
COS(=O)(=O)O.O=S(=O)(O)OSugarmoiety:
CC(O)=NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 381.34 | Num_heavy_atoms: | 23 |
| TPSA: | 209.48 | 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 |
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 |
