The iridoid 2′-coumaroyl mussaenosidic acid, isolated from Avicennia germinans (Avicenniaceae), was analysed by NMR and molecular modeling: two isomeric forms were confirmed. In addition, the known compound 1 (6S, 9R) roseoside was isolated for the first time from this species of Avicennia.

NMR, molecular modeling, iridoid, Avicennia germinans, Avicenniaceae, megastigmane glucoside vomifoliol 9-O-β-D-Glucopyranoside (roseoside), 2′-coumaroyl mussaenosidic acid

• Compound ID: 30061
  

  b-D-Glcp-(1-9)-Subst Subst = blumenol C = SMILES O=C1CC(C)([C@H](C(C)=C1)CC{9}[C@@H](C)O)C

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  Structure type: monomer ; 387 [M+H]+
  Trivial name: roseoside
  Compound class: iridoid glycoside
  
   
  
  Avicennia germinans
  CSDB ID 62500 (all data & tools)
• Compound ID: 30062
  

  pCoum-(9-2)-b-D-Glcp-(1-1)-Subst Subst = mussaenosidic acid aglycon = SMILES C{10}[C@]1(O)CC[C@H]2[C@@H]1{1}[C@H](O)OC=C2{11}C(O)=O

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  Structure type: monomer
  Compound class: iridoid glycoside
  
   
  
  Avicennia germinans
  CSDB ID 62501 (all data & tools)
• Compound ID: 30063
  

  Subst1-(9-2)-b-D-Glcp-(1-1)-Subst2 Subst1 = cis-cinnamic acid = SMILES O={9}C(O)/C=C\C1=CC=CC=C1; Subst2 = mussaenosidic acid aglycon = SMILES C{10}[C@]1(O)CC[C@H]2[C@@H]1{1}[C@H](O)OC=C2{11}C(O)=O

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  Structure type: monomer
  Compound class: iridoid glycoside
  
   
  
  Avicennia germinans
  CSDB ID 62502 (all data & tools)