GD027090

Name:

None

Formula:

C40H50O22S2

Smiles:

C=C(CO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)[S+]([O-])c1cccc([S+]([O-])C(=C)CO[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1

Aglycone:

C=C(CO)[S+]([O-])c1cccc([S+]([O-])C(=C)CO)c1.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1OC(O)OC(O)C1OC(C)=O.CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL505714

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

AD17831

Formula: C12H14O4S2

Smiles:

C=C(CO)[S+]([O-])c1cccc([S+]([O-])C(=C)CO)c1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.17
AlogP:	0.91	Num_rotatable_bonds:	6
MolWt:	286.37	Num_heavy_atoms:	18
TPSA:	86.58	NumAromaticRings:	1