GD030288

Name:

2-[(4,5-dihydroxy-2-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl)oxy]-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl acetate

Formula:

C42H54O25

Smiles:

COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](OC(C)=O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3o2)cc1

Aglycone:

COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1

Sugarmoiety:

CC(=O)OC1C(O)C(CO)OC(OC2C(O)OC(COC3OC(C)C(O)C(O)C3O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CHEMBL2336741
• CNP0145189

AD02166

Formula: C16H12O5

Smiles:

COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1

HBA:	5	RingCount:	3
HBD:	2	FractionCSP3:	0.06
AlogP:	2.88	Num_rotatable_bonds:	2
MolWt:	284.27	Num_heavy_atoms:	21
TPSA:	79.9	NumAromaticRings:	3