Glycoside
GD038617
Name:
(1r,2s)-1-[(1s)-1,2-dihydroxyethyl]-3-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxypropyl sulfateFormula:
C10H20O10S2Smiles:
O=S(=O)([O-])O[C@@H]([C@@H](O)CO)[C@H](O)C[S@@+]1C[C@@H](O)[C@@H](O)[C@H]1COAglycone:
C[S+]1CC(O)C(O)C1COSugarmoiety:
O=S(=O)(O)OC(C(O)O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -4.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 364.39 | Num_heavy_atoms: | 22 |
| TPSA: | 187.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD02012
Formula: C6H13O3S
Smiles:
C[S+]1CC(O)C(O)C1CO| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 165.23 | Num_heavy_atoms: | 10 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
