GD016519

Name:

1-(octadeca-9,12,15-trienoyloxy)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl octadeca-9,12,15-trienoate

Formula:

C51H84O15

Smiles:

CCC=CCC=CCC=CCCCCCCCC(=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)CCCCCCCC=CCC=CCC=CCC

Aglycone:

CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCC=CCC

Sugarmoiety:

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

Other Identifiers

• CHEMBL1951711
• CNP0130612

AD02397

Formula: C39H64O5

Smiles:

CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCC=CCC

HBA:	5	RingCount:	0
HBD:	1	FractionCSP3:	0.64
AlogP:	10.61	Num_rotatable_bonds:	30
MolWt:	612.94	Num_heavy_atoms:	44
TPSA:	72.83	NumAromaticRings:	0