GD026860

Name:

2-(octadeca-6,9,12,15-tetraenoyloxy)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl octadeca-3,6,9,12,15-pentaenoate

Formula:

C51H78O15

Smiles:

CCC=CCC=CCC=CCC=CCC=CCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC=CCC=CCC=CCC=CCC

Aglycone:

CCC=CCC=CCC=CCC=CCC=CCC(=O)OCC(CO)OC(=O)CCCCC=CCC=CCC=CCC=CCC

Sugarmoiety:

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL499031
• CNP0152547

AD08132

Formula: C39H58O5

Smiles:

CCC=CCC=CCC=CCC=CCC=CCC(=O)OCC(CO)OC(=O)CCCCC=CCC=CCC=CCC=CCC

HBA:	5	RingCount:	0
HBD:	1	FractionCSP3:	0.49
AlogP:	9.94	Num_rotatable_bonds:	27
MolWt:	606.89	Num_heavy_atoms:	44
TPSA:	72.83	NumAromaticRings:	0