GD148267

Name:

[3,4,5-tris(acetyloxy)-6-{[4-(acetyloxy)-1-cyanocyclopent-2-en-1-yl]oxy}oxan-2-yl]methyl acetate

Formula:

C22H27O12N

Smiles:

CC(=O)OCC1OC(OC2(C#N)C=CC(OC(C)=O)C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)OC1C=CC(O)(C#N)C1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0200865

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

AD59340

Formula: C8H9O3N

Smiles:

CC(=O)OC1C=CC(O)(C#N)C1

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.5
AlogP:	0.13	Num_rotatable_bonds:	1
MolWt:	167.16	Num_heavy_atoms:	12
TPSA:	70.32	NumAromaticRings:	0