GD033238

Name:

None

Formula:

C23H29O12NS

Smiles:

CC(=O)OC[C@@H]1O[C@H](S(=O)(=O)CC(=O)NCc2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C(C[S](=O)=O)NCc1ccccc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL481694

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

AD21233

Formula: C9H10O3NS

Smiles:

O=C(C[S](=O)=O)NCc1ccccc1

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.22
AlogP:	0.18	Num_rotatable_bonds:	4
MolWt:	212.25	Num_heavy_atoms:	14
TPSA:	63.24	NumAromaticRings:	1