GD030946

Name:

None

Formula:

C34H40O17

Smiles:

CC=C1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)OC=C(C(=O)OC)[C@H]1CC(=O)OCc1ccc2c(c1)OCCO2

Aglycone:

CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCc1ccc2c(c1)OCCO2.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4169780

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

AD09966

Formula: C20H22O8

Smiles:

CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCc1ccc2c(c1)OCCO2

HBA:	8	RingCount:	3
HBD:	1	FractionCSP3:	0.4
AlogP:	1.86	Num_rotatable_bonds:	5
MolWt:	390.39	Num_heavy_atoms:	28
TPSA:	100.52	NumAromaticRings:	1