GD120107

Name:

1-(hexadecanoyloxy)-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}propan-2-yl hexadec-9-enoate

Formula:

C49H84O14

Smiles:

CCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CCCCCCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0258418

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

AD48209

Formula: C35H66O5

Smiles:

CCCCCCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC

HBA:	5	RingCount:	0
HBD:	1	FractionCSP3:	0.89
AlogP:	10.17	Num_rotatable_bonds:	31
MolWt:	566.91	Num_heavy_atoms:	40
TPSA:	72.83	NumAromaticRings:	0