Glycoside
GD039515
Name:
(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triolFormula:
C19H19O5NSSmiles:
OC[C@H]1O[C@H](c2nc(-c3ccc4ccccc4c3)cs2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
c1ccc2cc(-c3cscn3)ccc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 373.43 | Num_heavy_atoms: | 26 |
| TPSA: | 103.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD22542
Formula: C13H9NS
Smiles:
c1ccc2cc(-c3cscn3)ccc2c1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 211.29 | Num_heavy_atoms: | 15 |
| TPSA: | 12.89 | NumAromaticRings: | 3 |
