GD121195

Name:

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

Formula:

C29H42O13

Smiles:

CC(=O)OCC1OC(OC(C)C=C=C2C(C)(C)CC(OC(C)=O)CC2(C)O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0216075

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

AD48757

Formula: C15H24O4

Smiles:

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

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.73
AlogP:	1.95	Num_rotatable_bonds:	2
MolWt:	268.35	Num_heavy_atoms:	19
TPSA:	66.76	NumAromaticRings:	0