GD145375

Name:

[3,4-bis(acetyloxy)-5-{[3,4,5-tris(acetyloxy)-6-(dec-8-en-4,6-diyn-1-yloxy)oxan-2-yl]methoxy}oxolan-3-yl]methyl acetate

Formula:

C33H42O16

Smiles:

CC=CC#CC#CCCCOC1OC(COC2OCC(COC(C)=O)(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC=CC#CC#CCCCO.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(COC2OCC(O)(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0297372

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

AD06089

Formula: C10H12O

Smiles:

CC=CC#CC#CCCCO

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	0.4
AlogP:	1.34	Num_rotatable_bonds:	2
MolWt:	148.2	Num_heavy_atoms:	11
TPSA:	20.23	NumAromaticRings:	0