GD107253

Name:

None

Formula:

C33H40O18

Smiles:

COc1ccc(C(=O)O[C@@H]2[C@H](OC(C)=O)OCC(=O)[C@@H]3[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)OCC[C@@H]23)cc1

Aglycone:

COC(C)=O.COc1ccc(C(=O)OC2C(OC(C)=O)OCC(=O)C3C(O)OCCC23)cc1

Sugarmoiety:

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

Other Identifiers

• ZINC000004270027

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

AD44231

Formula: C19H22O9

Smiles:

COc1ccc(C(=O)OC2C(OC(C)=O)OCC(=O)C3C(O)OCCC23)cc1

HBA:	9	RingCount:	3
HBD:	1	FractionCSP3:	0.53
AlogP:	0.68	Num_rotatable_bonds:	4
MolWt:	394.38	Num_heavy_atoms:	28
TPSA:	117.59	NumAromaticRings:	1