GD157726

Name:

1-(icosa-5,8,11,14,17-pentaenoyloxy)-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:

C55H84O15

Smiles:

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

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0121189

AD47921

Formula: C43H64O5

Smiles:

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

HBA:	5	RingCount:	0
HBD:	1	FractionCSP3:	0.49
AlogP:	11.28	Num_rotatable_bonds:	30
MolWt:	660.98	Num_heavy_atoms:	48
TPSA:	72.83	NumAromaticRings:	0