GD105202

Name:

None

Formula:

C31H36O13

Smiles:

CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(OC(C)C)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(C)Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000238937254

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

AD44041

Formula: C17H18O4

Smiles:

CC(C)Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1

HBA:	4	RingCount:	2
HBD:	2	FractionCSP3:	0.24
AlogP:	3.31	Num_rotatable_bonds:	5
MolWt:	286.33	Num_heavy_atoms:	21
TPSA:	66.76	NumAromaticRings:	2