GD017134

Name:

None

Formula:

C58H79O55N3S8

Smiles:

COc1ccc(COC(=O)C=C(CO)OC2OC(COS(=O)(=O)O)C(OC3OC(C(=O)OCc4ccc(OC)cc4)C(OC4OC(COS(=O)(=O)O)C(OC5OC(C(=O)OCc6ccc(OC)cc6)C(OC6OC(COS(=O)(=O)O)C(O)C(O)C6NS(=O)(=O)O)C(O)C5OS(=O)(=O)O)C(O)C4NS(=O)(=O)O)C(O)C3OS(=O)(=O)O)C(O)C2NS(=O)(=O)O)cc1

Aglycone:

COS(=O)(=O)O.COS(=O)(=O)O.COS(=O)(=O)O.COc1ccc(COC(=O)C=C(O)CO)cc1.COc1ccc(COC=O)cc1.COc1ccc(COC=O)cc1.NS(=O)(=O)O.NS(=O)(=O)O.NS(=O)(=O)O.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

• CHEMBL1207772

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

AD03023

Formula: C12H14O5

Smiles:

COc1ccc(COC(=O)C=C(O)CO)cc1

HBA:	5	RingCount:	1
HBD:	2	FractionCSP3:	0.25
AlogP:	1.17	Num_rotatable_bonds:	5
MolWt:	238.24	Num_heavy_atoms:	17
TPSA:	75.99	NumAromaticRings:	1

AD03024

Formula: C9H10O3

Smiles:

COc1ccc(COC=O)cc1

HBA:	3	RingCount:	1
HBD:	0	FractionCSP3:	0.22
AlogP:	1.37	Num_rotatable_bonds:	4
MolWt:	166.18	Num_heavy_atoms:	12
TPSA:	35.53	NumAromaticRings:	1