GD020213

Name:

None

Formula:

C31H51O45N3S7

Smiles:

CO[C@@H]1O[C@H](COS(=O)(=O)O)[C@H](O[C@@H]2O[C@@H]3C(=O)N[C@H]4[C@H](OS(=O)(=O)O)[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@H](O[C@@H]6O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]6NS(=O)(=O)O)[C@H](O)[C@H]5O)[C@@H](COS(=O)(=O)O)O[C@@H]4O[C@H]3[C@H](O)[C@H]2OS(=O)(=O)O)[C@H](O)[C@H]1NS(=O)(=O)O

Aglycone:

COS(=O)(=O)O.COS(=O)(=O)O.NS(=O)(=O)O.NS(=O)(=O)O.O=C1NC2C(OC(COS(=O)(=O)O)C(O)C2OS(=O)(=O)O)OC2C1OC(O)C(OS(=O)(=O)O)C2O

Sugarmoiety:

COC1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4117173

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

AD00083

Formula: H3O3NS

Smiles:

NS(=O)(=O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.0
AlogP:	-1.25	Num_rotatable_bonds:	0
MolWt:	97.09	Num_heavy_atoms:	5
TPSA:	80.39	NumAromaticRings:	0

AD13990

Formula: C12H19O19NS3

Smiles:

O=C1NC2C(OC(COS(=O)(=O)O)C(O)C2OS(=O)(=O)O)OC2C1OC(O)C(OS(=O)(=O)O)C2O

HBA:	20	RingCount:	3
HBD:	7	FractionCSP3:	0.92
AlogP:	-5.77	Num_rotatable_bonds:	7
MolWt:	577.47	Num_heavy_atoms:	35
TPSA:	308.28	NumAromaticRings:	0