GD117615

Name:

12-{[4-({4-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyhexadecanoic acid

Formula:

C40H72O23

Smiles:

CCCCC(CCCCCCCCC(O)CC(=O)O)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(OC3OC(C)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)C1O

Aglycone:

CCCCC(O)CCCCCCCCC(O)CC(=O)O

Sugarmoiety:

CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0281228

AD45431

Formula: C16H32O4

Smiles:

CCCCC(O)CCCCCCCCC(O)CC(=O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.94
AlogP:	3.49	Num_rotatable_bonds:	14
MolWt:	288.43	Num_heavy_atoms:	20
TPSA:	77.76	NumAromaticRings:	0