GD022120

Name:

None

Formula:

C20H22O11

Smiles:

CC(=O)OC[C@@H]1O[C@H](C2=CC(=O)C=CC2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1C=CC(=O)C=C1

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL459758

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

AD06445

Formula: C6H4O2

Smiles:

O=C1C=CC(=O)C=C1

HBA:	2	RingCount:	1
HBD:	0	FractionCSP3:	0.0
AlogP:	0.25	Num_rotatable_bonds:	0
MolWt:	108.1	Num_heavy_atoms:	8
TPSA:	34.14	NumAromaticRings:	0