GD007931

Name:

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

Formula:

C49H52O27

Smiles:

CC(=O)OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](c3c(OC(C)=O)cc4oc(-c5ccc(OC(C)=O)c(OC(C)=O)c5)cc(=O)c4c3OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=O)Oc1cc(OC(C)=O)c2c(=O)cc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc2c1.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(COC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL451429
• CNP0077614

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

AD06397

Formula: C23H18O10

Smiles:

CC(=O)Oc1cc(OC(C)=O)c2c(=O)cc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc2c1

HBA:	10	RingCount:	3
HBD:	0	FractionCSP3:	0.17
AlogP:	3.16	Num_rotatable_bonds:	5
MolWt:	454.39	Num_heavy_atoms:	33
TPSA:	135.41	NumAromaticRings:	3