GD130982

Name:

3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl 4-(acetyloxy)-2,6,6-trimethylcyclohex-1-ene-1-carboxylate

Formula:

C26H36O13

Smiles:

CC(=O)OCC1OC(OC(=O)C2=C(C)CC(OC(C)=O)CC2(C)C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)OC1CC(C)=C(C(=O)O)C(C)(C)C1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0235040

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

AD53081

Formula: C12H18O4

Smiles:

CC(=O)OC1CC(C)=C(C(=O)O)C(C)(C)C1

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.67
AlogP:	2.14	Num_rotatable_bonds:	2
MolWt:	226.27	Num_heavy_atoms:	16
TPSA:	63.6	NumAromaticRings:	0