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ScientificNameLabel
Gynocardin
PHCD compound ID : 4313
Chemical Names :
Gynocardin
Molecular Formula : C12H17N1O8
Molecular Weight : 303.095417
More Details :
Names & Synonyms: (1R,4S,5R)-4,5-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclopent-2-ene-1-carbonitrile , (1R,4S,5R)-4,5-dihydroxy-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-cyclopent-2-enecarbonitrile , (1R,4S,5R)-4,5-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile , (1R,4S,5R)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)cyclopent-2-ene-1-carbonitrile , (1R,4S,5R)-4,5-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-cyclopent-2-ene-1-carbonitrile
Smiles: OC[C@H]1O[C@@H](O[C@@]2(C#N)C=C[C@@H]([C@H]2O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C12H17NO8/c13-4-12(2-1-5(15)10(12)19)21-11-9(18)8(17)7(16)6(3-14)20-11/h1-2,5-11,14-19H,3H2/t5-,6+,7+,8-,9+,10+,11-,12+/m0/s1
InChi Key : InChIKey=HASDUOHKNMHNJA-GDLVSTOPSA-N
PubChem ID : 441466
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 9 Ionization potential : 10.250947
Hydrogen bond donor count : 6 Electric dipole moment : 3.821
XLogP : -2.617 VDW volume : 264.804555
Molecular weight : 303.095417 HOMO-LUMO gap : 9.729000
Herb list :
Refrences & Litretures:
  
631.      Journal:'Phcog Rev'      Year:'2009'      Volume:'3'      Page:'186'      DOI:''      Title:'Passiflora Incarnata Linn: A Review on Morphology, Phytochemistry and Pharmacological Aspects'
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