GD143140

Name:

6,13,14,32,33-pentahydroxy-5-(hydroxymethyl)-12,31-dimethyl-17-oxo-27-pentyl-2,4,9,11,16,28,30-heptaoxatetracyclo[27.4.0.0³,⁸.0¹⁰,¹⁵]tritriacontan-7-yl 11-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl)oxy]hexadecanoate

Formula:

C68H120O30

Smiles:

CCCCCC(CCCCCCCCCC(=O)OC1C(O)C(CO)OC2OC3C(OC(CCCCC)CCCCCCCCCC(=O)OC4C(OC(C)C(O)C4O)OC21)OC(C)C(O)C3O)OC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:

CCCCCC(O)CCCCCCCCCC(=O)OC1C(O)C(CO)OC2OC3C(OC(CCCCC)CCCCCCCCCC(=O)OC4C(OC(C)C(O)C4O)OC21)OC(C)C(O)C3O

Sugarmoiety:

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

Other Identifiers

• CNP0191841

AD57579

Formula: C50H90O17

Smiles:

CCCCCC(O)CCCCCCCCCC(=O)OC1C(O)C(CO)OC2OC3C(OC(CCCCC)CCCCCCCCCC(=O)OC4C(OC(C)C(O)C4O)OC21)OC(C)C(O)C3O

HBA:	17	RingCount:	4
HBD:	7	FractionCSP3:	0.96
AlogP:	5.53	Num_rotatable_bonds:	20
MolWt:	963.25	Num_heavy_atoms:	67
TPSA:	249.59	NumAromaticRings:	0