GD018418

Name:

None

Formula:

C55H65O52N3S8

Smiles:

O=C(C=C(CO)OC1OC(COS(=O)(=O)[O-])C(OC2OC(C(=O)OCc3ccccc3)C(OC3OC(COS(=O)(=O)[O-])C(OC4OC(C(=O)OCc5ccccc5)C(OC5OC(COS(=O)(=O)[O-])C(O)C(O)C5NS(=O)(=O)[O-])C(O)C4OS(=O)(=O)[O-])C(O)C3NS(=O)(=O)[O-])C(O)C2OS(=O)(=O)[O-])C(O)C1NS(=O)(=O)[O-])OCc1ccccc1

Aglycone:

COS(=O)(=O)[O-].COS(=O)(=O)[O-].COS(=O)(=O)[O-].NS(=O)(=O)[O-].NS(=O)(=O)[O-].NS(=O)(=O)[O-].O=C(C=C(O)CO)OCc1ccccc1.O=COCc1ccccc1.O=COCc1ccccc1.O=S(=O)([O-])O.O=S(=O)([O-])O

Sugarmoiety:

OC1OC(OC2C(O)OC(OC3C(O)OC(OC4C(O)OC(OC5C(O)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL436901

AD00426

Formula: HO4S

Smiles:

O=S(=O)([O-])O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.0
AlogP:	-1.0	Num_rotatable_bonds:	0
MolWt:	97.07	Num_heavy_atoms:	5
TPSA:	77.43	NumAromaticRings:	0

AD00581

Formula: CH3O4S

Smiles:

COS(=O)(=O)[O-]

HBA:	4	RingCount:	0
HBD:	0	FractionCSP3:	1.0
AlogP:	-0.91	Num_rotatable_bonds:	1
MolWt:	111.1	Num_heavy_atoms:	6
TPSA:	66.43	NumAromaticRings:	0

AD00924

Formula: H2O3NS

Smiles:

NS(=O)(=O)[O-]

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-1.59	Num_rotatable_bonds:	0
MolWt:	96.09	Num_heavy_atoms:	5
TPSA:	83.22	NumAromaticRings:	0

AD00925

Formula: C8H8O2

Smiles:

O=COCc1ccccc1

HBA:	2	RingCount:	1
HBD:	0	FractionCSP3:	0.12
AlogP:	1.36	Num_rotatable_bonds:	3
MolWt:	136.15	Num_heavy_atoms:	10
TPSA:	26.3	NumAromaticRings:	1

AD07247

Formula: C11H12O4

Smiles:

O=C(C=C(O)CO)OCc1ccccc1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.18
AlogP:	1.16	Num_rotatable_bonds:	4
MolWt:	208.21	Num_heavy_atoms:	15
TPSA:	66.76	NumAromaticRings:	1