GD109099

Name:

None

Formula:

C27H32O13

Smiles:

CC(=O)OC[C@@H]1O[C@H](Oc2ccccc2[C@@H]2C[C@@H](OC(C)=O)C=CO2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=O)OC1C=COC(c2ccccc2O)C1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000253532405

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

AD44518

Formula: C13H14O4

Smiles:

CC(=O)OC1C=COC(c2ccccc2O)C1

HBA:	4	RingCount:	2
HBD:	1	FractionCSP3:	0.31
AlogP:	2.3	Num_rotatable_bonds:	2
MolWt:	234.25	Num_heavy_atoms:	17
TPSA:	55.76	NumAromaticRings:	1