GD000639

Name:

None

Formula:

C22H26O11

Smiles:

CC(=O)OC[C@@H]1O[C@H](CC(=O)C=Cc2ccco2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=O)C=Cc1ccco1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL3792768

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

AD00694

Formula: C8H8O2

Smiles:

CC(=O)C=Cc1ccco1

HBA:	2	RingCount:	1
HBD:	0	FractionCSP3:	0.12
AlogP:	1.88	Num_rotatable_bonds:	2
MolWt:	136.15	Num_heavy_atoms:	10
TPSA:	30.21	NumAromaticRings:	1