GD106326

Name:

None

Formula:

C34H42O21

Smiles:

CC(=O)OC[C@@H]1O[C@H](Oc2cc(O)c(C(C)=O)c(O[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=O)c1c(O)cc(O)cc1O.COC(C)=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000169716235

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

AD05020

Formula: C8H8O4

Smiles:

CC(=O)c1c(O)cc(O)cc1O

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	0.12
AlogP:	1.01	Num_rotatable_bonds:	1
MolWt:	168.15	Num_heavy_atoms:	12
TPSA:	77.76	NumAromaticRings:	1