GD144961

Name:

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

Formula:

C49H58O29

Smiles:

COc1cc(-c2oc3cc(=O)cc(OC4OC(CO)C(O)C(O)C4O)c-3cc2OC2OC(CO)C(O)C(O)C2OC2OC(COC(=O)C=Cc3ccc(O)c(OC4OC(CO)C(O)C(O)C4O)c3)C(O)C(O)C2O)ccc1O

Aglycone:

COC(=O)C=Cc1ccc(O)c(O)c1.COc1cc(-c2oc3cc(=O)cc(O)c-3cc2O)ccc1O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0250746

AD03431

Formula: C10H10O4

Smiles:

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

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.1
AlogP:	1.28	Num_rotatable_bonds:	2
MolWt:	194.19	Num_heavy_atoms:	14
TPSA:	66.76	NumAromaticRings:	1

AD58217

Formula: C16H12O6

Smiles:

COc1cc(-c2oc3cc(=O)cc(O)c-3cc2O)ccc1O

HBA:	6	RingCount:	3
HBD:	3	FractionCSP3:	0.06
AlogP:	2.54	Num_rotatable_bonds:	2
MolWt:	300.27	Num_heavy_atoms:	22
TPSA:	100.13	NumAromaticRings:	1