GD017221

Name:

None

Formula:

C45H73O51N3S6

Smiles:

CCCCCO[C@@H]1O[C@H](COS(=O)(=O)O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O[C@@H]3O[C@H](COS(=O)(=O)O)[C@H](O[C@@H]4O[C@H](C(=O)O)[C@H](O[C@@H]5O[C@H](COS(=O)(=O)O)[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6OS(=O)(=O)O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4OS(=O)(=O)O)[C@H](O)[C@H]3NS(=O)(=O)O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O

Aglycone:

CCCCCO.COS(=O)(=O)O.COS(=O)(=O)O.COS(=O)(=O)O.NS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:

CC(=O)NC1C(O)OC(O)C(OC2OC(C(=O)O)C(OC3OC(O)C(OC4OC(C(=O)O)C(OC5OC(O)C(OC6OC(C(=O)O)C(O)C(O)C6O)C(O)C5NC(C)=O)C(O)C4O)C(O)C3O)C(O)C2O)C1O

Other Identifiers

• CHEMBL3307035

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

AD07311

Formula: C5H12O

Smiles:

CCCCCO

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	1.17	Num_rotatable_bonds:	3
MolWt:	88.15	Num_heavy_atoms:	6
TPSA:	20.23	NumAromaticRings:	0