GD019536

Name:

None

Formula:

C18H25O11NS

Smiles:

CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)CSC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=O)SCC(N)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

• CHEMBL1222149

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

AD13629

Formula: C4H7O2NS

Smiles:

CC(=O)SCC(N)=O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.5
AlogP:	-0.25	Num_rotatable_bonds:	2
MolWt:	133.17	Num_heavy_atoms:	8
TPSA:	60.16	NumAromaticRings:	0