7LM

N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide


Toggle HydrogenToggle Labels

Chemical Component Summary

NameN-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide
Identifiers~{N}-[(2~{S},3~{S},4~{R})-1-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-16-phenyl-hexadecan-2-yl]octanamide
FormulaC36 H63 N O9
Molecular Weight653.887
TypeNON-POLYMER
Isomeric SMILESCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCc2ccccc2)O)O
InChIInChI=1S/C36H63NO9/c1-2-3-4-11-19-24-31(40)37-28(26-45-36-35(44)34(43)33(42)30(25-38)46-36)32(41)29(39)23-18-13-10-8-6-5-7-9-12-15-20-27-21-16-14-17-22-27/h14,16-17,21-22,28-30,32-36,38-39,41-44H,2-13,15,18-20,23-26H2,1H3,(H,37,40)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1
InChIKeyYDGPBAWHWVHKQP-QNAIHFNASA-N

Chemical Details

Formal Charge0
Atom Count109
Chiral Atom Count8
Bond Count110
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 129900335
ChEBI CHEBI:139113