GD007372

Name:

None

Formula:

C25H32O15

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

Aglycone:

CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OC.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4162231

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

AD06011

Formula: C11H14O6

Smiles:

CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OC

HBA:	6	RingCount:	1
HBD:	2	FractionCSP3:	0.45
AlogP:	0.43	Num_rotatable_bonds:	3
MolWt:	242.23	Num_heavy_atoms:	17
TPSA:	93.06	NumAromaticRings:	0