GD136545

Name:

Hexaacetylpyracanthoside

Formula:

C33H34O17

Smiles:

CC(=O)OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(OC(C)=O)c(OC(C)=O)c2)CC3=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)Oc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1OC(C)=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0351860

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

AD55202

Formula: C19H16O8

Smiles:

CC(=O)Oc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1OC(C)=O

HBA:	8	RingCount:	3
HBD:	2	FractionCSP3:	0.21
AlogP:	2.65	Num_rotatable_bonds:	3
MolWt:	372.33	Num_heavy_atoms:	27
TPSA:	119.36	NumAromaticRings:	2