GD014116

Name:

None

Formula:

C19H30O14N2S2

Smiles:

CC(=O)OC[C@@H]1O[C@H](S(=O)(=O)N2CCC(OS(N)(=O)=O)CC2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.NS(=O)(=O)OC1CCN([S](=O)=O)CC1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3342250

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

AD10434

Formula: C5H11O5N2S2

Smiles:

NS(=O)(=O)OC1CCN([S](=O)=O)CC1

HBA:	7	RingCount:	1
HBD:	2	FractionCSP3:	1.0
AlogP:	-1.53	Num_rotatable_bonds:	3
MolWt:	243.29	Num_heavy_atoms:	14
TPSA:	106.77	NumAromaticRings:	0