GD039643

Name:

2,3,4-tri-o-propanoyl-6-o-sulfamoyl-beta-d-glucopyranose

Formula:

C15H25O11NS

Smiles:

CCC(=O)O[C@H]1[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@@H](COS(N)(=O)=O)O[C@H]1O

Aglycone:

CCC(=O)O.CCC(=O)O.CCC(=O)O.COS(N)(=O)=O

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O

Other Identifiers

• MG5
• SG5

AD00036

Formula: CH5O3NS

Smiles:

COS(N)(=O)=O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-1.16	Num_rotatable_bonds:	1
MolWt:	111.12	Num_heavy_atoms:	6
TPSA:	69.39	NumAromaticRings:	0

AD00155

Formula: C3H6O2

Smiles:

CCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.67
AlogP:	0.48	Num_rotatable_bonds:	1
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	37.3	NumAromaticRings:	0