GD120087

Name:

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

Formula:

C52H87O15N

Smiles:

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

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0301483

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	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