GD006311

Name:

None

Formula:

C31H37O13NS

Smiles:

CC(=O)OC[C@@H]1O[C@H](N([C@H](C(=O)O)C(C)C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(C)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4282436

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

AD05239

Formula: C17H19O4NS

Smiles:

CC(C)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.24
AlogP:	2.74	Num_rotatable_bonds:	6
MolWt:	333.41	Num_heavy_atoms:	23
TPSA:	83.47	NumAromaticRings:	2