GD147497

Name:

2-(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({4,5-dihydroxy-2-[2-(methoxycarbonyl)phenoxy]oxan-3-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}-2-oxoethyl)-6-methylheptanedioic acid

Formula:

C58H86O40

Smiles:

COC(=O)c1ccccc1OC1OCC(O)C(O)C1OC1OCC(O)C(O)C1OC1OCC(O)C(O)C1OC1OCC(O)C(O)C1OC1OCC(O)C(O)C1OC1OCC(O)C(O)C1OC1OCC(O)C(O)C1OC1OCC(O)C(O)C1OC(=O)CC(CCCC(C)C(=O)O)C(=O)O

Aglycone:

CC(CCCC(CC(=O)O)C(=O)O)C(=O)O.COC(=O)c1ccccc1O

Sugarmoiety:

OC1COC(OC2C(OC3C(OC4C(OC5C(OC6C(OC7C(OC8C(O)OCC(O)C8O)OCC(O)C7O)OCC(O)C6O)OCC(O)C5O)OCC(O)C4O)OCC(O)C3O)OCC(O)C2O)C(O)C1O

Other Identifiers

• CNP0200663

AD05895

Formula: C8H8O3

Smiles:

COC(=O)c1ccccc1O

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.12
AlogP:	1.18	Num_rotatable_bonds:	1
MolWt:	152.15	Num_heavy_atoms:	11
TPSA:	46.53	NumAromaticRings:	1

AD59065

Formula: C10H16O6

Smiles:

CC(CCCC(CC(=O)O)C(=O)O)C(=O)O

HBA:	6	RingCount:	0
HBD:	3	FractionCSP3:	0.7
AlogP:	1.05	Num_rotatable_bonds:	8
MolWt:	232.23	Num_heavy_atoms:	16
TPSA:	111.9	NumAromaticRings:	0