GD122808

Name:

[3,4,5-tris(acetyloxy)-6-[1,3,6,7-tetrakis(acetyloxy)-9-oxo-9H-xanthen-4-yl]oxan-2-yl]methyl acetate

Formula:

C35H34O19

Smiles:

CC(=O)OCC1OC(c2c(OC(C)=O)cc(OC(C)=O)c3c(=O)c4cc(OC(C)=O)c(OC(C)=O)cc4oc23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3cc(OC(C)=O)c(OC(C)=O)cc3oc2c1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0254388

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

AD49526

Formula: C21H16O10

Smiles:

CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3cc(OC(C)=O)c(OC(C)=O)cc3oc2c1

HBA:	10	RingCount:	3
HBD:	0	FractionCSP3:	0.19
AlogP:	2.65	Num_rotatable_bonds:	4
MolWt:	428.35	Num_heavy_atoms:	31
TPSA:	135.41	NumAromaticRings:	3