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Emodin rhamnoside
PHCD compound ID : 3293
Chemical Names :
Emodin rhamnoside
Molecular Formula : C33H40O17
Molecular Weight : 708.22655
More Details :
Names & Synonyms: 3-methyl-1,6,8-tris[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy]anthracene-9,10-dione , 3-methyl-1,6,8-tris[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]anthracene-9,10-dione , 3-methyl-1,6,8-tris[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]anthracene-9,10-dione , 3-methyl-1,6,8-tris[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]anthracene-9,10-dione , 3-methyl-1,6,8-tris[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy]-9,10-anthraquinone
Smiles: Cc1cc(O[C@@H]2O[C@H](C)[C@@H]([C@@H]([C@@H]2O)O)O)c2c(c1)C(=O)c1c(C2=O)c(cc(c1)O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)O[C@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)O)O
InChi : InChI=1S/C33H40O17/c1-9-5-14-18(16(6-9)49-32-29(43)26(40)21(35)11(3)46-32)24(38)19-15(23(14)37)7-13(48-31-28(42)25(39)20(34)10(2)45-31)8-17(19)50-33-30(44)27(41)22(36)12(4)47-33/h5-8,10-12,20-22,25-36,39-44H,1-4H3/t10-,11-,12-,20+,21+,22+,25+,26+,27+,28+,29+,30+,31+,32+,33-/m1/s1
InChi Key : InChIKey=LFPKWJFVMOYVOR-PLARAHFUSA-N
PubChem ID : 317827
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 17 Ionization potential : 9.433003
Hydrogen bond donor count : 9 Electric dipole moment : 6.560
XLogP : -1.292 VDW volume : 611.727383
Molecular weight : 708.22655 HOMO-LUMO gap : 8.003000
Herb list :
Refrences & Litretures:
  
448.      Journal:'Indian Journal of Natural Products and Resources'      Year:'2010'      Volume:'3'      Page:'291'      DOI:''      Title:'A review on anthraquinones isolated from Cassia species and their applications'
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