GD117528

Name:

2-[4-(acetyloxy)-3-methoxyphenyl]-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:

C55H64O30

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)c3)oc2c1

Aglycone:

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

• CNP0184986

AD15919

Formula: C21H18O9

Smiles:

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

HBA:	9	RingCount:	3
HBD:	1	FractionCSP3:	0.19
AlogP:	3.03	Num_rotatable_bonds:	5
MolWt:	414.37	Num_heavy_atoms:	30
TPSA:	121.5	NumAromaticRings:	3