GD000550

Name:

None

Formula:

C27H34O13

Smiles:

COc1cc(C=CC(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc(OC)c1OC

Aglycone:

COC(C)=O.COc1cc(C=CC(C)=O)cc(OC)c1OC

Sugarmoiety:

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

Other Identifiers

• CHEMBL3792449

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

AD00603

Formula: C13H16O4

Smiles:

COc1cc(C=CC(C)=O)cc(OC)c1OC

HBA:	4	RingCount:	1
HBD:	0	FractionCSP3:	0.31
AlogP:	2.31	Num_rotatable_bonds:	5
MolWt:	236.27	Num_heavy_atoms:	17
TPSA:	44.76	NumAromaticRings:	1