GD010598

Name:

None

Formula:

C28H39O20NS

Smiles:

CC(=O)OC[C@@H]1O[C@@H](S(=O)(=O)CC(N)=O)[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.NC(=O)C[S](=O)=O

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

• CHEMBL503967
• CHEMBL510889

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

AD08123

Formula: C2H4O3NS

Smiles:

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

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.5
AlogP:	-1.65	Num_rotatable_bonds:	2
MolWt:	122.12	Num_heavy_atoms:	7
TPSA:	77.23	NumAromaticRings:	0