GD031932

Name:

None

Formula:

C33H44O19N2S2

Smiles:

CC(=O)OC[C@@H]1O[C@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[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(C)=O.COC(C)=O.NS(=O)(=O)c1ccc(CNS)cc1

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL1091319

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

AD02188

Formula: C7H10O2N2S2

Smiles:

NS(=O)(=O)c1ccc(CNS)cc1

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	0.14
AlogP:	0.27	Num_rotatable_bonds:	3
MolWt:	218.3	Num_heavy_atoms:	13
TPSA:	72.19	NumAromaticRings:	1