GD027625

Name:

None

Formula:

C35H61O49N3S8

Smiles:

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

Aglycone:

COCC1OC(COS(=O)(=O)O)C(O)C(O)C1NS(=O)(=O)O.COCC1OC(COS(=O)(=O)O)C(O)C(OS(=O)(=O)O)C1NS(=O)(=O)O.COS(=O)(=O)O.NS(=O)(=O)O.O=S(=O)(O)O

Sugarmoiety:

COC1OC(O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1615534

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

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

AD18132

Formula: C8H17O11NS2

Smiles:

COCC1OC(COS(=O)(=O)O)C(O)C(O)C1NS(=O)(=O)O

HBA:	12	RingCount:	1
HBD:	5	FractionCSP3:	1.0
AlogP:	-3.3	Num_rotatable_bonds:	7
MolWt:	367.35	Num_heavy_atoms:	22
TPSA:	188.92	NumAromaticRings:	0

AD18133

Formula: C8H17O14NS3

Smiles:

COCC1OC(COS(=O)(=O)O)C(O)C(OS(=O)(=O)O)C1NS(=O)(=O)O

HBA:	15	RingCount:	1
HBD:	5	FractionCSP3:	1.0
AlogP:	-3.47	Num_rotatable_bonds:	9
MolWt:	447.42	Num_heavy_atoms:	26
TPSA:	232.29	NumAromaticRings:	0