GD145386

Name:

None

Formula:

C48H83O47N3S4

Smiles:

CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(COS(=O)(=O)O)OC(OC4C(O)C(COS(=O)(=O)O)OC(OC5C(COS(=O)(=O)O)OC(OC(C(O)CO)C(O)C(O)CO)C(N=C(C)O)C5O)C4O)C(N=C(C)O)C3OC3OC(C)C(O)C(O)C3O)C2O)OC(COS(=O)(=O)O)C(O)C1O

Aglycone:

COS(=O)(=O)O.COS(=O)(=O)O.COS(=O)(=O)O.COS(=O)(=O)O

Sugarmoiety:

CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(O)OC(OC4C(O)C(O)OC(OC5C(O)OC(OC(C(O)CO)C(O)C(O)CO)C(N=C(C)O)C5O)C4O)C(N=C(C)O)C3OC3OC(C)C(O)C(O)C3O)C2O)OC(O)C(O)C1O

Other Identifiers

• CNP0466784

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