GD008020

Name:

None

Formula:

C22H42O24N2S5

Smiles:

CCN(CC(=O)NCCO[C@@H]1O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O)C(=O)CCCCCCCCCOS(=O)(=O)O

Aglycone:

CCN(CC(=O)NCCO)C(=O)CCCCCCCCCOS(=O)(=O)O.COS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2109846

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

AD06455

Formula: C16H32O7N2S

Smiles:

CCN(CC(=O)NCCO)C(=O)CCCCCCCCCOS(=O)(=O)O

HBA:	9	RingCount:	0
HBD:	3	FractionCSP3:	0.88
AlogP:	0.88	Num_rotatable_bonds:	16
MolWt:	396.51	Num_heavy_atoms:	26
TPSA:	133.24	NumAromaticRings:	0