GD020223

Name:

None

Formula:

C58H62O70N3S8

Smiles:

O=C([O-])C=C(COC(=O)CCC(=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(COS(=O)(=O)[O-])C(O)C(OC(=O)CCC(=O)[O-])C5NS(=O)(=O)[O-])C(OC(=O)CCC(=O)[O-])C4OS(=O)(=O)[O-])C(OC(=O)CCC(=O)[O-])C3NS(=O)(=O)[O-])C(OC(=O)CCC(=O)[O-])C2OS(=O)(=O)[O-])C(OC(=O)CCC(=O)[O-])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-])C=C(O)COC(=O)CCC(=O)[O-].O=C([O-])CCC(=O)O.O=C([O-])CCC(=O)O.O=C([O-])CCC(=O)O.O=C([O-])CCC(=O)O.O=C([O-])CCC(=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

• CHEMBL2021393

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

AD13996

Formula: C8H8O7

Smiles:

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

HBA:	7	RingCount:	0
HBD:	1	FractionCSP3:	0.38
AlogP:	-2.75	Num_rotatable_bonds:	6
MolWt:	216.14	Num_heavy_atoms:	15
TPSA:	126.79	NumAromaticRings:	0

AD13997

Formula: C4H5O4

Smiles:

O=C([O-])CCC(=O)O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.5
AlogP:	-1.4	Num_rotatable_bonds:	3
MolWt:	117.08	Num_heavy_atoms:	8
TPSA:	77.43	NumAromaticRings:	0