GD039370

Name:

[(2~{r})-3-[[(1~{s},2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{s})-10-methylhenicosanoate

Formula:

C70H131O24P

Smiles:

CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@H]2OP(=O)(O)OC[C@H](COC(=O)CCCCCCCCC(C)CCCCCCCCCCC)OC(=O)CCCCCCCCCC)[C@H](O)[C@H](O)[C@@H]1O

Aglycone:

CCCCCCCCCCCC(C)CCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)OC

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• IX7

AD03475

Formula: C17H34O2

Smiles:

CCCCCCCCCCCCCCCC(=O)OC

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.94
AlogP:	5.64	Num_rotatable_bonds:	14
MolWt:	270.46	Num_heavy_atoms:	19
TPSA:	26.3	NumAromaticRings:	0

AD24376

Formula: C42H81O13P

Smiles:

CCCCCCCCCCCC(C)CCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCC

HBA:	13	RingCount:	1
HBD:	6	FractionCSP3:	0.95
AlogP:	7.97	Num_rotatable_bonds:	36
MolWt:	825.07	Num_heavy_atoms:	56
TPSA:	209.51	NumAromaticRings:	0