GD040502

Name:

(1s,2r,3r,4s,5r,6s)-2-(alpha-l-allopyranosyloxy)-3,4,5-trihydroxy-6-({6-o-[(1r)-1-hydroxyhexadecyl]-beta-l-gulopyranosyl}oxy)cyclohexyl (2r)-2-{[(1s)-1-hydroxyhexadecyl]oxy}-3-{[(1s,10s)-1-hydroxy-10-methyloctadecyl]oxy}propyl hydrogen (r)-phosphate

Formula:

C72H141O24P

Smiles:

CCCCCCCCCCCCCCC[C@H](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]2O[P@](=O)(O)OC[C@H](CO[C@@H](O)CCCCCCCC[C@H](C)CCCCCCCC)O[C@@H](O)CCCCCCCCCCCCCCC)[C@H](O)[C@H](O)[C@@H]1O

Aglycone:

CCCCCCCCCCCCCCCC(O)OC.CCCCCCCCCCCCCCCC(O)OC(COC(O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O

Sugarmoiety:

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

Other Identifiers

• Z69

AD24795

Formula: C17H36O2

Smiles:

CCCCCCCCCCCCCCCC(O)OC

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	5.43	Num_rotatable_bonds:	15
MolWt:	272.47	Num_heavy_atoms:	19
TPSA:	29.46	NumAromaticRings:	0

AD24796

Formula: C44H89O13P

Smiles:

CCCCCCCCCCCCCCCC(O)OC(COC(O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O

HBA:	13	RingCount:	1
HBD:	8	FractionCSP3:	1.0
AlogP:	8.33	Num_rotatable_bonds:	40
MolWt:	857.16	Num_heavy_atoms:	58
TPSA:	215.83	NumAromaticRings:	0