GD004931

Name:

None

Formula:

C70H104O57N3S8

Smiles:

CCCCCC(=O)OCC(=CC(=O)[O-])OC1OC(COS(=O)(=O)[O-])C(OC2OC(C(=O)[O-])C(OC3OC(COS(=O)(=O)[O-])C(OC4OC(C(=O)[O-])C(OC5OC(CS(=O)(=O)[O-])C(O)C(OC(=O)CCCCC)C5NS(=O)(=O)[O-])C(OC(=O)CCCCC)C4OS(=O)(=O)[O-])C(OC(=O)CCCCC)C3NS(=O)(=O)[O-])C(OC(=O)CCCCC)C2OS(=O)(=O)[O-])C(OC(=O)CCCCC)C1NS(=O)(=O)[O-]

Aglycone:

CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)OCC(O)=CC(=O)[O-].COS(=O)(=O)[O-].COS(=O)(=O)[O-].CS(=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(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

• CHEMBL406486

AD00130

Formula: C6H12O2

Smiles:

CCCCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.83
AlogP:	1.65	Num_rotatable_bonds:	4
MolWt:	116.16	Num_heavy_atoms:	8
TPSA:	37.3	NumAromaticRings:	0

AD00413

Formula: CH3O3S

Smiles:

CS(=O)(=O)[O-]

HBA:	3	RingCount:	0
HBD:	0	FractionCSP3:	1.0
AlogP:	-0.84	Num_rotatable_bonds:	0
MolWt:	95.1	Num_heavy_atoms:	5
TPSA:	57.2	NumAromaticRings:	0

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

AD04245

Formula: C10H15O5

Smiles:

CCCCCC(=O)OCC(O)=CC(=O)[O-]

HBA:	5	RingCount:	0
HBD:	1	FractionCSP3:	0.6
AlogP:	0.3	Num_rotatable_bonds:	7
MolWt:	215.22	Num_heavy_atoms:	15
TPSA:	86.66	NumAromaticRings:	0