GD038382

Name:

[(2~{r},3~{s},4~{r},5~{r},6~{r})-2-[[(2~{s},3~{s},4~{r},5~{s},6~{r})-3,6-bis(oxidanyl)-4,5-disulfooxy-oxan-2-yl]methoxy ]-6-(hydroxymethyl)-3,5-disulfooxy-oxan-4-yl] hydrogen sulfate

Formula:

C12H22O26S5

Smiles:

O=S(=O)(O)O[C@H]1[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@@H](O)[C@H]1OS(=O)(=O)O

Aglycone:

O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• 9QZ

AD00034

Formula: H2O4S

Smiles:

O=S(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	98.08	Num_heavy_atoms:	5
TPSA:	74.6	NumAromaticRings:	0