GD148797

Name:

(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-[(5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-methoxybenzoate

Formula:

C43H60O29

Smiles:

COc1ccc(OC2OC(CO)C(OC3OCC(O)(CO)C3O)C(O)C2O)c(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)c1C(=O)OCc1ccccc1OC1OC(CO)C(O)C(O)C1O

Aglycone:

COc1ccc(O)c(O)c1C(=O)OCc1ccccc1O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OC1OCC(O)(CO)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0123146

AD51834

Formula: C15H14O6

Smiles:

COc1ccc(O)c(O)c1C(=O)OCc1ccccc1O

HBA:	6	RingCount:	2
HBD:	3	FractionCSP3:	0.13
AlogP:	2.17	Num_rotatable_bonds:	4
MolWt:	290.27	Num_heavy_atoms:	21
TPSA:	96.22	NumAromaticRings:	2