GD122338

Name:

3-{[3-({3-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl docosa-9,12-dienoate

Formula:

C58H100O32

Smiles:

CCCCCCCCCC=CCC=CCCCCCCCC(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:

CCCCCCCCCC=CCC=CCCCCCCCC(=O)O

Sugarmoiety:

OCC1OC(OC2C(OC3C(OC4C(OC5C(OC6C(O)OC(CO)C(O)C6O)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0154501

AD49288

Formula: C22H40O2

Smiles:

CCCCCCCCCC=CCC=CCCCCCCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.77
AlogP:	7.44	Num_rotatable_bonds:	18
MolWt:	336.56	Num_heavy_atoms:	24
TPSA:	37.3	NumAromaticRings:	0