GD006350

Name:

None

Formula:

C39H55O55S9

Smiles:

CCCCO[C@H]1[C@H](OS(=O)(=O)[O-])[C@@H](O[C@H]2[C@H](COS(=O)(=O)[O-])O[C@@H](OC)[C@@H](OS(=O)(=O)[O-])[C@H]2OS(=O)(=O)[O-])O[C@@H](C(=O)[O-])[C@H]1O[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@H](O[C@@H]2O[C@H](C(=O)[O-])[C@H](O[C@@H]3O[C@H](COS(=O)(=O)[O-])[C@H](OC)[C@H](OC)[C@H]3OS(=O)(=O)[O-])[C@H](OC)[C@H]2OC)[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-]

Aglycone:

CCCCO.COS(=O)(=O)[O-].COS(=O)(=O)[O-].COS(=O)(=O)[O-].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.O=S(=O)([O-])O

Sugarmoiety:

COC1OC(O)C(OC2OC(O)C(OC3OC(CO)C(OC4OC(C(=O)O)C(OC5OC(CO)C(OC)C(OC)C5O)C(OC)C4OC)C(O)C3O)C(C(=O)O)O2)C(O)O1

Other Identifiers

• CHEMBL2029027

AD00426

Formula: HO4S

Smiles:

O=S(=O)([O-])O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.0
AlogP:	-1.0	Num_rotatable_bonds:	0
MolWt:	97.07	Num_heavy_atoms:	5
TPSA:	77.43	NumAromaticRings:	0

AD00581

Formula: CH3O4S

Smiles:

COS(=O)(=O)[O-]

HBA:	4	RingCount:	0
HBD:	0	FractionCSP3:	1.0
AlogP:	-0.91	Num_rotatable_bonds:	1
MolWt:	111.1	Num_heavy_atoms:	6
TPSA:	66.43	NumAromaticRings:	0

AD00936

Formula: C4H10O

Smiles:

CCCCO

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	0.78	Num_rotatable_bonds:	2
MolWt:	74.12	Num_heavy_atoms:	5
TPSA:	20.23	NumAromaticRings:	0