GD144580

Name:

[3,4,5-tris(acetyloxy)-6-{[4-(2,2,6-trimethyl-4-oxocyclohexyl)butan-2-yl]oxy}oxan-2-yl]methyl acetate

Formula:

C27H42O11

Smiles:

CC(=O)OCC1OC(OC(C)CCC2C(C)CC(=O)CC2(C)C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(O)CCC1C(C)CC(=O)CC1(C)C.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0103726

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

AD17126

Formula: C13H24O2

Smiles:

CC(O)CCC1C(C)CC(=O)CC1(C)C

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.92
AlogP:	2.79	Num_rotatable_bonds:	3
MolWt:	212.33	Num_heavy_atoms:	15
TPSA:	37.3	NumAromaticRings:	0