GD009215

Name:

None

Formula:

C55H73O52N3S8

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

• CHEMBL1207759

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

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