GD153666

Name:

[5-(acetyloxy)-10-{[3,4,5-tris(acetyloxy)-6-({[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl]methyl acetate

Formula:

C39H50O24

Smiles:

CC(=O)OCC1OC(OCC2OC(OC3OC=CC4C(OC(C)=O)C5OC5(COC(C)=O)C34)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)OCC12OC1C(OC(C)=O)C1C=COC(O)C12.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(COC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0140644

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

AD01108

Formula: C13H16O7

Smiles:

CC(=O)OCC12OC1C(OC(C)=O)C1C=COC(O)C12

HBA:	7	RingCount:	3
HBD:	1	FractionCSP3:	0.69
AlogP:	-0.27	Num_rotatable_bonds:	3
MolWt:	284.26	Num_heavy_atoms:	20
TPSA:	94.59	NumAromaticRings:	0