GD136471

Name:

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

Formula:

C27H38O11

Smiles:

CC(=O)OCC1OC(OC(C)C=CC2C(C)=CC(=O)CC2(C)C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC1=CC(=O)CC(C)(C)C1C=CC(C)O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0298646

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

AD03070

Formula: C13H20O2

Smiles:

CC1=CC(=O)CC(C)(C)C1C=CC(C)O

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.62
AlogP:	2.48	Num_rotatable_bonds:	2
MolWt:	208.3	Num_heavy_atoms:	15
TPSA:	37.3	NumAromaticRings:	0