GD120154

Name:

1-(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}propan-2-yl icosa-5,8,11,14,17-pentaenoate

Formula:

C53H82O15

Smiles:

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC(COC(=O)CCCCC=CCC=CCC=CCC=CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0326194

AD48233

Formula: C41H62O5

Smiles:

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

HBA:	5	RingCount:	0
HBD:	1	FractionCSP3:	0.51
AlogP:	10.72	Num_rotatable_bonds:	29
MolWt:	634.94	Num_heavy_atoms:	46
TPSA:	72.83	NumAromaticRings:	0