GD132018

Name:

2-[3-(acetyloxy)-4-methoxyphenyl]-4-oxo-7-{[3,4,5-tris(acetyloxy)-6-({[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-5-yl acetate

Formula:

C44H50O23

Smiles:

COc1ccc(C2CC(=O)c3c(OC(C)=O)cc(OC4OC(COC5OC(C)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)cc3O2)cc1OC(C)=O

Aglycone:

COc1ccc(C2CC(=O)c3c(OC(C)=O)cc(O)cc3O2)cc1OC(C)=O

Sugarmoiety:

CC(=O)OC1C(C)OC(OCC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0202538

AD53454

Formula: C20H18O8

Smiles:

COc1ccc(C2CC(=O)c3c(OC(C)=O)cc(O)cc3O2)cc1OC(C)=O

HBA:	8	RingCount:	3
HBD:	1	FractionCSP3:	0.25
AlogP:	2.96	Num_rotatable_bonds:	4
MolWt:	386.36	Num_heavy_atoms:	28
TPSA:	108.36	NumAromaticRings:	2