GD022719

Name:

None

Formula:

C33H32O16

Smiles:

CC(=O)OCC1OC(Oc2cc(OC(C)=O)c3c(=O)cc(-c4ccc(OC(C)=O)cc4)oc3c2)[C@H](OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(O)cc3o2)cc1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1356069

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

AD14339

Formula: C19H14O7

Smiles:

CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(O)cc3o2)cc1

HBA:	7	RingCount:	3
HBD:	1	FractionCSP3:	0.11
AlogP:	3.02	Num_rotatable_bonds:	3
MolWt:	354.31	Num_heavy_atoms:	26
TPSA:	103.04	NumAromaticRings:	3