GD019432

Name:

None

Formula:

C39H60O40N4S8

Smiles:

CC(C)(CC(=O)N(CCO[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-])CC(=O)NC1CCCCC1)CC(=O)N(CCO[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-])CC(=O)NC1CCCCC1

Aglycone:

CC(C)(CC(=O)N(CCO)CC(=O)NC1CCCCC1)CC(=O)N(CCO)CC(=O)NC1CCCCC1.COS(=O)(=O)[O-].COS(=O)(=O)[O-].O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=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)O1.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3215307

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

AD03753

Formula: C27H48O6N4

Smiles:

CC(C)(CC(=O)N(CCO)CC(=O)NC1CCCCC1)CC(=O)N(CCO)CC(=O)NC1CCCCC1

HBA:	10	RingCount:	2
HBD:	4	FractionCSP3:	0.85
AlogP:	1.33	Num_rotatable_bonds:	14
MolWt:	524.7	Num_heavy_atoms:	37
TPSA:	139.28	NumAromaticRings:	0