GD008740

Name:

None

Formula:

C33H42O17S

Smiles:

CC(=O)OCC1OC(OC2C(COC(C)=O)OC(Sc3ccccc3C)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.Cc1ccccc1S

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

• CHEMBL1974154

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

AD06938

Formula: C7H8S

Smiles:

Cc1ccccc1S

HBA:	0	RingCount:	1
HBD:	0	FractionCSP3:	0.14
AlogP:	2.28	Num_rotatable_bonds:	0
MolWt:	124.21	Num_heavy_atoms:	8
TPSA:	0.0	NumAromaticRings:	1