GD020406

Name:

None

Formula:

C46H65O52N3S8

Smiles:

CC=CCOC(=O)C=C(CO)OC1OC(COS(=O)(=O)[O-])C(OC2OC(C(=O)OCC=CC)C(OC3OC(COS(=O)(=O)[O-])C(OC4OC(C(=O)OCC=CC)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-]

Aglycone:

CC=CCOC(=O)C=C(O)CO.CC=CCOC=O.CC=CCOC=O.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=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

• CHEMBL265268

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

AD04850

Formula: C8H12O4

Smiles:

CC=CCOC(=O)C=C(O)CO

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.38
AlogP:	0.54	Num_rotatable_bonds:	4
MolWt:	172.18	Num_heavy_atoms:	12
TPSA:	66.76	NumAromaticRings:	0

AD04851

Formula: C5H8O2

Smiles:

CC=CCOC=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.4
AlogP:	0.74	Num_rotatable_bonds:	3
MolWt:	100.12	Num_heavy_atoms:	7
TPSA:	26.3	NumAromaticRings:	0