GD008013

Name:

None

Formula:

C26H44O19S

Smiles:

CO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](S[C@@H]3C=C(CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

OCC1=CC(S)C(O)C(O)C1O

Sugarmoiety:

COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1797814

AD06450

Formula: C7H12O4S

Smiles:

OCC1=CC(S)C(O)C(O)C1O

HBA:	4	RingCount:	1
HBD:	4	FractionCSP3:	0.71
AlogP:	-1.7	Num_rotatable_bonds:	1
MolWt:	192.24	Num_heavy_atoms:	12
TPSA:	80.92	NumAromaticRings:	0