GD039418

Name:

[(2~{s})-2-acetyloxy-3-[[(2~{s})-3-[(2~{r},3~{s},4~{s},5~{s},6~{s})-6-(hydroxymethyl)-3-(octadecanoylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propyl] ethanoate

Formula:

C39H73O15N2P

Smiles:

CCCCCCCCCCCCCCCCCC(=O)N[C@H]1[C@H](OC[C@@H](OP(=O)(O)OC[C@H](COC(C)=O)OC(C)=O)C(=O)NCCCCC)O[C@H](CO)[C@H](O)[C@@H]1O

Aglycone:

CCCCCCCCCCCCCCCCCC(N)=O.CCCCCNC(=O)C(CO)OP(=O)(O)OCC(COC(C)=O)OC(C)=O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• JQ6

AD03008

Formula: C18H37ON

Smiles:

CCCCCCCCCCCCCCCCCC(N)=O

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.94
AlogP:	5.73	Num_rotatable_bonds:	16
MolWt:	283.5	Num_heavy_atoms:	20
TPSA:	43.09	NumAromaticRings:	0

AD24398

Formula: C15H28O10NP

Smiles:

CCCCCNC(=O)C(CO)OP(=O)(O)OCC(COC(C)=O)OC(C)=O

HBA:	11	RingCount:	0
HBD:	3	FractionCSP3:	0.8
AlogP:	0.28	Num_rotatable_bonds:	14
MolWt:	413.36	Num_heavy_atoms:	27
TPSA:	157.69	NumAromaticRings:	0