GD105648

Name:

None

Formula:

C14H25O17NS2

Smiles:

CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O[C@@H]2OC(C(=O)O)=C[C@H](O)[C@H]2OS(O)(O)O)[C@@H]1O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• ZINC000100100351

AD12993

Formula: CH6O4S

Smiles:

COS(O)(O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	0.77	Num_rotatable_bonds:	1
MolWt:	114.12	Num_heavy_atoms:	6
TPSA:	69.92	NumAromaticRings:	0

AD40406

Formula: C6H10O9S

Smiles:

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

HBA:	9	RingCount:	1
HBD:	6	FractionCSP3:	0.5
AlogP:	-0.81	Num_rotatable_bonds:	3
MolWt:	258.2	Num_heavy_atoms:	16
TPSA:	156.91	NumAromaticRings:	0