GD117455

Name:

{[(5-methanesulfonyl-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]sulfanyl}pentylidene)amino]oxy}sulfonic acid

Formula:

C20H31O15NS3

Smiles:

CC(=O)OCC1OC(SC(CCCCS(C)(=O)=O)=NOS(=O)(=O)O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.CS(=O)(=O)CCCCC(S)=NOS(=O)(=O)O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0298910

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD46829

Formula: C6H13O6NS3

Smiles:

CS(=O)(=O)CCCCC(S)=NOS(=O)(=O)O

HBA:	7	RingCount:	0
HBD:	1	FractionCSP3:	0.83
AlogP:	0.26	Num_rotatable_bonds:	7
MolWt:	291.37	Num_heavy_atoms:	16
TPSA:	110.1	NumAromaticRings:	0