GD002154

Name:

None

Formula:

C17H21O10NS2

Smiles:

CC(=O)OCC1OC(SC2=NC(=O)CS2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.O=C1CSC(S)=N1

Sugarmoiety:

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

Other Identifiers

• CHEMBL1973548

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

AD02087

Formula: C3H3ONS2

Smiles:

O=C1CSC(S)=N1

HBA:	2	RingCount:	1
HBD:	0	FractionCSP3:	0.33
AlogP:	0.55	Num_rotatable_bonds:	0
MolWt:	133.2	Num_heavy_atoms:	7
TPSA:	29.43	NumAromaticRings:	0