GD020850

Name:

None

Formula:

C41H70O49N4S6

Smiles:

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

NCCCCCO.NS(=O)(=O)O.NS(=O)(=O)O.NS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:

O=C(O)C1OC(OC2C(CO)OC(OC3C(C(=O)O)OC(OC4C(CO)OC(OC5C(C(=O)O)OC(OC6C(CO)OC(O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3306919

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

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

AD05658

Formula: C5H13ON

Smiles:

NCCCCCO

HBA:	2	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	0.11	Num_rotatable_bonds:	4
MolWt:	103.16	Num_heavy_atoms:	7
TPSA:	46.25	NumAromaticRings:	0