GD111497

Name:

None

Formula:

C29H28O11S

Smiles:

CO[C@@H]1O[C@@H]([C@@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OS(C)(=O)=O

Aglycone:

CS(=O)(=O)O.O=C(O)c1ccccc1.O=C(OCCOC(=O)c1ccccc1)c1ccccc1

Sugarmoiety:

COC1OC(O)C(O)C1O

Other Identifiers

• ZINC000004769596

AD00002

Formula: C7H6O2

Smiles:

O=C(O)c1ccccc1

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.0
AlogP:	1.38	Num_rotatable_bonds:	1
MolWt:	122.12	Num_heavy_atoms:	9
TPSA:	37.3	NumAromaticRings:	1

AD00013

Formula: CH4O3S

Smiles:

CS(=O)(=O)O

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-0.5	Num_rotatable_bonds:	0
MolWt:	96.11	Num_heavy_atoms:	5
TPSA:	54.37	NumAromaticRings:	0

AD44720

Formula: C16H14O4

Smiles:

O=C(OCCOC(=O)c1ccccc1)c1ccccc1

HBA:	4	RingCount:	2
HBD:	0	FractionCSP3:	0.12
AlogP:	2.7	Num_rotatable_bonds:	5
MolWt:	270.28	Num_heavy_atoms:	20
TPSA:	52.6	NumAromaticRings:	2