GD027874

Name:

None

Formula:

C20H30O16N2S2

Smiles:

COC(=O)[C@@H]1C[C@H](OS(N)(=O)=O)CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(=O)C1CC(OS(N)(=O)=O)CN1[S](=O)=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL3342252

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

AD18276

Formula: C6H11O7N2S2

Smiles:

COC(=O)C1CC(OS(N)(=O)=O)CN1[S](=O)=O

HBA:	9	RingCount:	1
HBD:	2	FractionCSP3:	0.83
AlogP:	-2.38	Num_rotatable_bonds:	4
MolWt:	287.3	Num_heavy_atoms:	17
TPSA:	133.07	NumAromaticRings:	0