GD145405

Name:

None

Formula:

C20H29O23NS2

Smiles:

CC(O)=NC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(COS(=O)(=O)O)C(O)C1OC1OC(C(=O)O)=CC(O)C1OS(=O)(=O)O

Aglycone:

COS(=O)(=O)O.O=C(O)C1=CC(O)C(OS(=O)(=O)O)C(O)O1

Sugarmoiety:

CC(O)=NC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(O)C(O)C1O

Other Identifiers

• CNP0466804

AD00053

Formula: CH4O4S

Smiles:

COS(=O)(=O)O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-0.56	Num_rotatable_bonds:	1
MolWt:	112.11	Num_heavy_atoms:	6
TPSA:	63.6	NumAromaticRings:	0

AD02734

Formula: C6H8O9S

Smiles:

O=C(O)C1=CC(O)C(OS(=O)(=O)O)C(O)O1

HBA:	9	RingCount:	1
HBD:	4	FractionCSP3:	0.5
AlogP:	-2.15	Num_rotatable_bonds:	3
MolWt:	256.19	Num_heavy_atoms:	16
TPSA:	150.59	NumAromaticRings:	0