GD117230

Name:

6-({3-hydroxy-4,5-bis[(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy]-6-(hydroxymethyl)oxan-2-yl}oxy)-2,6-dimethylocta-2,7-dienoic acid

Formula:

C36H54O12

Smiles:

C=CC(C)(O)CCC=C(C)C(=O)OC1C(CO)OC(OC(C)(C=C)CCC=C(C)C(=O)O)C(O)C1OC(=O)C(C)=CCCC(C)(O)C=C

Aglycone:

C=CC(C)(O)CCC=C(C)C(=O)O.C=CC(C)(O)CCC=C(C)C(=O)O.C=CC(C)(O)CCC=C(C)C(=O)O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0313215

AD01642

Formula: C10H16O3

Smiles:

C=CC(C)(O)CCC=C(C)C(=O)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.5
AlogP:	1.73	Num_rotatable_bonds:	5
MolWt:	184.23	Num_heavy_atoms:	13
TPSA:	57.53	NumAromaticRings:	0