GD148679

Name:

6-{4-[7-({6-carboxy-4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5-hydroxy-6-methoxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenoxy}-3-hydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:

C45H56O31

Smiles:

COc1c(OC2OC(C(=O)O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc2oc(-c3ccc(OC4OC(C(=O)O)C(O)C(OC5OCC(O)C(O)C5O)C4OC4OC(C)C(O)C(O)C4O)c(O)c3)cc(=O)c2c1O

Aglycone:

COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O

Sugarmoiety:

CC1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(C(=O)O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0267036

AD09185

Formula: C16H12O7

Smiles:

COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O

HBA:	7	RingCount:	3
HBD:	4	FractionCSP3:	0.06
AlogP:	2.29	Num_rotatable_bonds:	2
MolWt:	316.27	Num_heavy_atoms:	23
TPSA:	120.36	NumAromaticRings:	3