GD015330

Name:

None

Formula:

C76H68O58N3S8

Smiles:

O=C([O-])C=C(COC(=O)c1ccccc1)OC1OC(COS(=O)(=O)[O-])C(OC2OC(C(=O)[O-])C(OC3OC(COS(=O)(=O)[O-])C(OC4OC(C(=O)[O-])C(OC5OC(COS(=O)(=O)[O-])C(O)C(OC(=O)c6ccccc6)C5NS(=O)(=O)[O-])C(OC(=O)c5ccccc5)C4OS(=O)(=O)[O-])C(OC(=O)c4ccccc4)C3NS(=O)(=O)[O-])C(OC(=O)c3ccccc3)C2OS(=O)(=O)[O-])C(OC(=O)c2ccccc2)C1NS(=O)(=O)[O-]

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(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C([O-])C=C(O)COC(=O)c1ccccc1.O=S(=O)([O-])O.O=S(=O)([O-])O

Sugarmoiety:

O=C(O)C1OC(OC2C(O)OC(OC3C(C(=O)O)OC(OC4C(O)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1627043

AD00002

Formula: C7H6O2

Smiles:

O=C(O)c1ccccc1

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.0
AlogP:	1.38	Num_rotatable_bonds:	1
MolWt:	122.12	Num_heavy_atoms:	9
TPSA:	37.3	NumAromaticRings:	1

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

AD11151

Formula: C11H9O5

Smiles:

O=C([O-])C=C(O)COC(=O)c1ccccc1

HBA:	5	RingCount:	1
HBD:	1	FractionCSP3:	0.09
AlogP:	0.04	Num_rotatable_bonds:	4
MolWt:	221.19	Num_heavy_atoms:	16
TPSA:	86.66	NumAromaticRings:	1