GD032173

Name:

None

Formula:

C36H55O20NS

Smiles:

CCCCCCCCNC(=O)CS(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

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

• CHEMBL454008

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

AD02308

Formula: C10H20O3NS

Smiles:

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

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.9
AlogP:	1.34	Num_rotatable_bonds:	9
MolWt:	234.34	Num_heavy_atoms:	15
TPSA:	63.24	NumAromaticRings:	0