GD114684

Name:

ethyl 3-{[3,4,5-tris(acetyloxy)-6-({[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}octanoate

Formula:

C36H54O20

Smiles:

CCCCCC(CC(=O)OCC)OC1OC(COC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CCCCCC(O)CC(=O)OCC.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(COC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0170022

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

AD45213

Formula: C10H20O3

Smiles:

CCCCCC(O)CC(=O)OCC

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	0.9
AlogP:	1.88	Num_rotatable_bonds:	7
MolWt:	188.27	Num_heavy_atoms:	13
TPSA:	46.53	NumAromaticRings:	0