GD156950

Name:

6-[(6-{[2-carboxy-4,6-dihydroxy-5-(sulfooxy)oxan-3-yl]oxy}-2-hydroxy-4-(sulfomethyl)-5-(sulfooxy)oxan-3-yl)oxy]-3-({3-acetamido-4,5-dihydroxy-6-[(sulfooxy)methyl]oxan-2-yl}oxy)-4,5-dihydroxyoxane-2-carboxylic acid

Formula:

C26H41O34NS4

Smiles:

CC(O)=NC1C(OC2C(C(=O)O)OC(OC3C(O)OC(OC4C(C(=O)O)OC(O)C(OS(=O)(=O)O)C4O)C(OS(=O)(=O)O)C3CS(=O)(=O)O)C(O)C2O)OC(COS(=O)(=O)O)C(O)C1O

Aglycone:

COS(=O)(=O)O.CS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:

CC(O)=NC1C(OC2C(C(=O)O)OC(OC3C(O)OC(OC4C(O)OC(O)OC4C(=O)O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1O

Other Identifiers

• CNP0123910

AD00013

Formula: CH4O3S

Smiles:

CS(=O)(=O)O

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-0.5	Num_rotatable_bonds:	0
MolWt:	96.11	Num_heavy_atoms:	5
TPSA:	54.37	NumAromaticRings:	0

AD00034

Formula: H2O4S

Smiles:

O=S(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	98.08	Num_heavy_atoms:	5
TPSA:	74.6	NumAromaticRings:	0

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