GD149906

Name:

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

Formula:

C27H38O12

Smiles:

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

Aglycone:

CC(O)C=CC1C(CO)=CC(=O)CC1(C)C.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0329214

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

AD20729

Formula: C13H20O3

Smiles:

CC(O)C=CC1C(CO)=CC(=O)CC1(C)C

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.62
AlogP:	1.46	Num_rotatable_bonds:	3
MolWt:	224.3	Num_heavy_atoms:	16
TPSA:	57.53	NumAromaticRings:	0