GD018545

Name:

None

Formula:

C40H53O46N3S5

Smiles:

CC(=O)NC1C(OC2C(C(=O)[O-])OC(OC3C(COS(=O)(=O)[O-])OC(OC4C(C(=O)[O-])OC(OC5C(COS(=O)(=O)[O-])OC(OC(=CC(=O)[O-])CO)C(NC(C)=O)C5O)C(OS(=O)(=O)[O-])C4O)C(NC(C)=O)C3O)C(OS(=O)(=O)[O-])C2O)OC(COS(=O)(=O)[O-])C(O)C1O

Aglycone:

COS(=O)(=O)[O-].COS(=O)(=O)[O-].COS(=O)(=O)[O-].O=C([O-])C=C(O)CO.O=S(=O)([O-])O.O=S(=O)([O-])O

Sugarmoiety:

CC(=O)NC1C(O)OC(O)C(OC2OC(O)C(OC3OC(O)C(OC4OC(C(=O)O)C(OC5OC(CO)C(O)C(O)C5NC(C)=O)C(O)C4O)C(O)C3NC(C)=O)C(C(=O)O)O2)C1O

Other Identifiers

• CHEMBL1627034

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

AD04729

Formula: C4H5O4

Smiles:

O=C([O-])C=C(O)CO

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.25
AlogP:	-1.83	Num_rotatable_bonds:	2
MolWt:	117.08	Num_heavy_atoms:	8
TPSA:	80.59	NumAromaticRings:	0