GD131154

Name:

2-[3,4-bis(acetyloxy)phenyl]-7-methoxy-4-oxo-3-{[3,4,5-tris(acetyloxy)-6-({[3,5-bis(acetyloxy)-6-methyl-4-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-5-yl acetate

Formula:

C56H64O31

Smiles:

COc1cc(OC(C)=O)c2c(=O)c(OC3OC(COC4OC(C)C(OC(C)=O)C(OC5OC(C)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)C4OC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc2c1

Aglycone:

COc1cc(OC(C)=O)c2c(=O)c(O)c(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc2c1

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(OC(C)=O)C(C)OC(OCC3OC(O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0320024

AD53146

Formula: C22H18O10

Smiles:

COc1cc(OC(C)=O)c2c(=O)c(O)c(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc2c1

HBA:	10	RingCount:	3
HBD:	1	FractionCSP3:	0.18
AlogP:	2.95	Num_rotatable_bonds:	5
MolWt:	442.38	Num_heavy_atoms:	32
TPSA:	138.57	NumAromaticRings:	3