Glycoside
GD038887
Name:
(2r,3s,4s)-1-[(2s,3s,4r,5r,6s)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name)Formula:
C12H25O9SSmiles:
OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@@H](O)[C@H]1COAglycone:
C[S+]1CC(O)C(O)C1COSugarmoiety:
OCC(O)C(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -5.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 345.39 | Num_heavy_atoms: | 22 |
| TPSA: | 182.07 | 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 |
