Glycoside
GD039510
Name:
(1s,2r,3r,4s)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfateFormula:
C12H24O12S2Smiles:
O=S(=O)([O-])O[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@@H](O)[C@H]1CO)[C@@H](O)[C@@H](O)[C@@H](O)COAglycone:
C[S+]1CC(O)C(O)C1COSugarmoiety:
O=S(=O)(O)OC(C(O)O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -6.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 424.45 | Num_heavy_atoms: | 26 |
| TPSA: | 228.27 | 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 |
