GD025403

Name:

None

Formula:

C69H90O42

Smiles:

CC(=O)OC[C@@H]1O[C@H](OCc2ccccc2)[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](O[C@@H]5O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)[C@H]4OC(C)=O)[C@H]3OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.OCc1ccccc1

Sugarmoiety:

CC(=O)OCC1OC(O)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC3OC(O)OC(OC4OC(O)OC(OC5OC(O)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)C4OC(C)=O)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL425275

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

AD00044

Formula: C7H8O

Smiles:

OCc1ccccc1

HBA:	1	RingCount:	1
HBD:	1	FractionCSP3:	0.14
AlogP:	1.18	Num_rotatable_bonds:	1
MolWt:	108.14	Num_heavy_atoms:	8
TPSA:	20.23	NumAromaticRings:	1