GD025022

Name:

None

Formula:

C32H34O16

Smiles:

COc1cc(OC(C)=O)c(C(=O)c2ccc(OC(C)=O)cc2)c(O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1

Aglycone:

COC(C)=O.COc1cc(O)c(C(=O)c2ccc(OC(C)=O)cc2)c(OC(C)=O)c1

Sugarmoiety:

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

Other Identifiers

• CHEMBL2159676

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

AD16639

Formula: C18H16O7

Smiles:

COc1cc(O)c(C(=O)c2ccc(OC(C)=O)cc2)c(OC(C)=O)c1

HBA:	7	RingCount:	2
HBD:	1	FractionCSP3:	0.17
AlogP:	2.48	Num_rotatable_bonds:	5
MolWt:	344.32	Num_heavy_atoms:	25
TPSA:	99.13	NumAromaticRings:	2