GD024800

Name:

None

Formula:

C42H61O55S9

Smiles:

CCCCO[C@@H]1[C@H](OS(=O)(=O)[O-])[C@H](O[C@H]2[C@H](OC)[C@@H](OC)[C@@H](O[C@H]3[C@H](COS(=O)(=O)[O-])O[C@@H](O[C@@H]4[C@H](OC)[C@H](OS(=O)(=O)[O-])[C@H](O[C@H]5[C@H](COS(=O)(=O)[O-])O[C@@H](OC)[C@@H](OS(=O)(=O)[O-])[C@H]5OS(=O)(=O)[O-])O[C@H]4C(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])O[C@H]2C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H]1OCCCC

Aglycone:

CCCCO.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:

CCCCOOOC(O)OOOC1C(C(=O)O)OC(OC2C(O)OC(OC3C(C(=O)O)OC(OC4C(O)OC(OC)C(O)C4O)C(O)C3OC)C(O)C2O)C(OC)C1OC

Other Identifiers

• CHEMBL2029026

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