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Portuloside A
PHCD compound ID : 2658
Chemical Names :
Portuloside A
Molecular Formula : C16H26O7
Molecular Weight : 330.167853
More Details :
Names & Synonyms: (6S)-2,6-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-octa-1,7-dien-3-one , (6S)-2,6-dimethyl-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-octa-1,7-dienone , (6S)-2,6-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyocta-1,7-dien-3-one , (6S)-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,6-dimethyl-octa-1,7-dien-3-one , (6S)-2,6-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-octa-1,7-dien-3-one
Smiles: OC[C@H]1O[C@@H](O[C@@](CCC(=O)C(=C)C)(C=C)C)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C16H26O7/c1-5-16(4,7-6-10(18)9(2)3)23-15-14(21)13(20)12(19)11(8-17)22-15/h5,11-15,17,19-21H,1-2,6-8H2,3-4H3/t11-,12-,13+,14-,15+,16-/m1/s1
InChi Key : InChIKey=NERFSSPHKJBXKV-VJQRDGCPSA-N
PubChem ID : 10687859
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 10.043809
Hydrogen bond donor count : 4 Electric dipole moment : 3.394
XLogP : -0.146 VDW volume : 326.557965
Molecular weight : 330.167853 HOMO-LUMO gap : 10.475000
Herb list :
Refrences & Litretures:
  
309.      Journal:'BioMed Research International'      Year:'2015'      Volume:''      Page:'925631'      DOI:'10.1155/2015/925631'      Title:'Portulaca oleracea L.: A Review of Phytochemistry and Pharmacological Effects'
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