GD154952

Name:

6-{4-[7-({6-carboxy-5-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-5-hydroxy-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:

C49H62O34

Smiles:

CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)c(O)c5)oc4c3)OC(C(=O)O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

Sugarmoiety:

CC1OC(OC2C(O)OC(C(=O)O)C(O)C2OC2OCC(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

• CNP0180481

AD00567

Formula: C15H10O6

Smiles:

O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

HBA:	6	RingCount:	3
HBD:	4	FractionCSP3:	0.0
AlogP:	2.28	Num_rotatable_bonds:	1
MolWt:	286.24	Num_heavy_atoms:	21
TPSA:	111.13	NumAromaticRings:	3