Glycoside
GD039519
Name:
(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triolFormula:
C15H17O5NSSmiles:
OC[C@H]1O[C@H](c2nc(-c3ccccc3)cs2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
c1ccc(-c2cscn2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 323.37 | Num_heavy_atoms: | 22 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD06655
Formula: C9H7NS
Smiles:
c1ccc(-c2cscn2)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.23 | Num_heavy_atoms: | 11 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
