GD146583

Name:

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

Formula:

C46H58O27

Smiles:

COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(OC(C)=O)C(O)C5OC(C)=O)C(O)C(OC(C)=O)C4OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)cc3o2)cc1

Aglycone:

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

Sugarmoiety:

CC(=O)OC1C(C)OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(OC(C)=O)C2O)C(OC(C)=O)C1O

Other Identifiers

• CNP0367574

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