GD021919

Name:

None

Formula:

C34H46O19N2S2

Smiles:

CC(=O)OC[C@@H]1O[C@H](SNCCc2ccc(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(CCNS)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

• CHEMBL1092715

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

AD13240

Formula: C8H12O2N2S2

Smiles:

NS(=O)(=O)c1ccc(CCNS)cc1

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	0.25
AlogP:	0.31	Num_rotatable_bonds:	4
MolWt:	232.33	Num_heavy_atoms:	14
TPSA:	72.19	NumAromaticRings:	1