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Phyllanthusin B
PHCD compound ID : 5574
Chemical Names :
Phyllanthusiin B isomer , Phyllanthusiin B , Phyllanthusin B
Molecular Formula : C41H29O28
Molecular Weight : 970.09236
More Details :
Names & Synonyms:
Smiles: OC(=O)C[C@@]1(O)C(=O)O[C@@H]2[C@H]3COC(=O)c4cc(O)c(c(c4c4c(C(=O)O[C@H]2[C@@H](OC(=O)c2c5[C@@H]1[C@@H](Oc5c(c(c2)O)O)C(=O)O)[C@@H](O3)OC(=O)c1cc(O)c(c(c1)O)O)cc(O)c(c4O)O)O)O
InChi : InChI=1S/C41H29O28/c42-12-1-8(2-13(43)23(12)49)35(57)69-39-33-32-29(68-40(61)41(62,6-18(47)48)22-21-11(38(60)67-33)5-16(46)26(52)30(21)65-31(22)34(55)56)17(64-39)7-63-36(58)9-3-14(44)24(50)27(53)19(9)20-10(37(59)66-32)4-15(45)25(51)28(20)54/h1-5,17,22,29,32-33,39,42-46,49-54,62H,6-7H2,(H,47,48)(H,55,56)/t17-,22-,29-,32-,33-,39+,41+/m1/s1
InChi Key : InChIKey=UKWTVDITWXONMV-UMPVGXBCSA-N
PubChem ID :
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 28 Ionization potential : 9.136306
Hydrogen bond donor count : 14 Electric dipole moment : 4.601
XLogP : 2.206 VDW volume : 771.273791
Molecular weight : 970.09236 HOMO-LUMO gap : 7.946000
Herb list :
Refrences & Litretures:
  
943.      Journal:'BMC Complementary and Alternative Medicine'      Year:'2017'      Volume:'17'      Page:'52'      DOI:'10.1186/s12906-017-1561-2'      Title:'Profile of bioactive compounds in Nymphaea alba L. leaves growing in Egypt: hepatoprotective, antioxidant and anti-inflammatory activity'
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