GD086099

Name:

None

Formula:

C19H28O10

Smiles:

C=CCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

C=CCCCO.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000095871201

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

AD01770

Formula: C5H10O

Smiles:

C=CCCCO

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	0.6
AlogP:	0.94	Num_rotatable_bonds:	3
MolWt:	86.13	Num_heavy_atoms:	6
TPSA:	20.23	NumAromaticRings:	0