GD139141

Name:

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

Formula:

C56H70O33

Smiles:

COc1cc(C=CC(=O)OCC2OC(OC3C(O)C(C)OC(OC4C(Oc5c(-c6ccc(O)c(OC)c6)oc6cc(O)cc(O)c6c5=O)OC(COC5OC(C)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C3O)C(O)C(O)C2O)ccc1O

Aglycone:

COC(=O)C=Cc1ccc(O)c(OC)c1.COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O

Sugarmoiety:

CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(OC4OC(O)C(O)C(O)C4O)C3O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0119155

AD00132

Formula: C11H12O4

Smiles:

COC(=O)C=Cc1ccc(O)c(OC)c1

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.18
AlogP:	1.59	Num_rotatable_bonds:	3
MolWt:	208.21	Num_heavy_atoms:	15
TPSA:	55.76	NumAromaticRings:	1

AD01682

Formula: C16H12O7

Smiles:

COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O

HBA:	7	RingCount:	3
HBD:	4	FractionCSP3:	0.06
AlogP:	2.29	Num_rotatable_bonds:	2
MolWt:	316.26	Num_heavy_atoms:	23
TPSA:	120.36	NumAromaticRings:	3