GD021145

Name:

None

Formula:

C35H40O16

Smiles:

C=C(C)C(OC(=O)C=Cc1ccc(OC(C)=O)cc1)C1CC(=CCO[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C(=O)O1

Aglycone:

C=C(C)C(OC(=O)C=Cc1ccc(OC(C)=O)cc1)C1CC(=CCO)C(=O)O1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL504897

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

AD14495

Formula: C21H22O7

Smiles:

C=C(C)C(OC(=O)C=Cc1ccc(OC(C)=O)cc1)C1CC(=CCO)C(=O)O1

HBA:	7	RingCount:	2
HBD:	1	FractionCSP3:	0.29
AlogP:	2.35	Num_rotatable_bonds:	7
MolWt:	386.4	Num_heavy_atoms:	28
TPSA:	99.13	NumAromaticRings:	1