GD001442

Name:

None

Formula:

C42H58O26

Smiles:

CC=CCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC=CCO.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(COC2OC(COC3OC(O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL396538

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

AD01450

Formula: C4H8O

Smiles:

CC=CCO

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	0.5
AlogP:	0.55	Num_rotatable_bonds:	1
MolWt:	72.11	Num_heavy_atoms:	5
TPSA:	20.23	NumAromaticRings:	0