GD136563

Name:

Hs_Dp08_0002

Formula:

C48H77O59N3S6

Smiles:

O=C(O)C1OC(OC2C(CO)OC(OC3C(C(=O)O)OC(OC4C(CO)OC(OC5C(C(=O)O)OC(OC6C(CO)OC(OC7C(C(=O)O)OC(OC8C(COS(=O)(=O)O)OC(CO)C8O)C(O)C7O)C(NS(=O)(=O)O)C6O)C(OS(=O)(=O)O)C5O)C(NS(=O)(=O)O)C4O)C(OS(=O)(=O)O)C3O)C(NS(=O)(=O)O)C2O)C(O)C(O)C1O

Aglycone:

COS(=O)(=O)O.NS(=O)(=O)O.NS(=O)(=O)O.NS(=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(OC7C(C(=O)O)OC(OC8C(O)OC(CO)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0219269

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