GD032547

Name:

None

Formula:

C18H28O15N2S2

Smiles:

COC(=O)[C@H](CS(N)(=O)=O)NS(=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)C(CS(N)(=O)=O)N[S](=O)=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL3342253

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

AD20866

Formula: C4H9O6N2S2

Smiles:

COC(=O)C(CS(N)(=O)=O)N[S](=O)=O

HBA:	8	RingCount:	0
HBD:	3	FractionCSP3:	0.75
AlogP:	-2.8	Num_rotatable_bonds:	5
MolWt:	245.26	Num_heavy_atoms:	14
TPSA:	132.63	NumAromaticRings:	0