GD136764

Name:

2-[2-(acetyloxy)hexadecanamido]-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methoxy]oxan-2-yl]oxy}octadeca-5,12-dien-3-yl acetate

Formula:

C52H87O16N

Smiles:

CCCCCC=CCCCCCC=CCC(OC(C)=O)C(COC1OC(OCOC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)N=C(O)C(CCCCCCCCCCCCCC)OC(C)=O

Aglycone:

CC(=O)OCO.CCCCCC=CCCCCCC=CCC(OC(C)=O)C(CO)N=C(O)C(CCCCCCCCCCCCCC)OC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0255164

AD04948

Formula: C3H6O3

Smiles:

CC(=O)OCO

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	0.67
AlogP:	-0.5	Num_rotatable_bonds:	1
MolWt:	90.08	Num_heavy_atoms:	6
TPSA:	46.53	NumAromaticRings:	0

AD48197

Formula: C38H69O6N

Smiles:

CCCCCC=CCCCCCC=CCC(OC(C)=O)C(CO)N=C(O)C(CCCCCCCCCCCCCC)OC(C)=O

HBA:	7	RingCount:	0
HBD:	2	FractionCSP3:	0.82
AlogP:	10.29	Num_rotatable_bonds:	31
MolWt:	635.97	Num_heavy_atoms:	45
TPSA:	105.42	NumAromaticRings:	0