GD129598

Name:

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

Formula:

C29H42O12

Smiles:

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

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0066694

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

AD52500

Formula: C15H24O3

Smiles:

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

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.67
AlogP:	2.85	Num_rotatable_bonds:	3
MolWt:	252.35	Num_heavy_atoms:	18
TPSA:	46.53	NumAromaticRings:	0