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ScientificNameLabel
Trollisine
PHCD compound ID : 2654
Chemical Names :
Trollisine
Molecular Formula : C27H30O12
Molecular Weight : 546.173726
More Details :
Names & Synonyms:
Smiles: CC[C@@H](C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1c1c(OC)cc(c2c1oc(cc2=O)c1ccc(c(c1)O)O)O)CO)C
InChi : InChI=1S/C27H30O12/c1-4-11(2)27(35)39-26-23(34)22(33)19(10-28)38-25(26)21-18(36-3)9-16(32)20-15(31)8-17(37-24(20)21)12-5-6-13(29)14(30)7-12/h5-9,11,19,22-23,25-26,28-30,32-34H,4,10H2,1-3H3/t11-,19+,22+,23-,25-,26+/m0/s1
InChi Key : InChIKey=KTRYTVBZRJJLKI-QEQWANMJSA-N
PubChem ID :
Rotatable bond count : 8 Rule of five : 2
Hydrogen bond acceptor count : 12 Ionization potential : 9.155599
Hydrogen bond donor count : 6 Electric dipole moment : 5.314
XLogP : 1.388 VDW volume : 486.076801
Molecular weight : 546.173726 HOMO-LUMO gap : 8.176000
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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