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ScientificNameLabel
6-O-alpha-L-rhamnopyranosylcatalpol
PHCD compound ID : 2722
Chemical Names :
6-O-alpha-L-rhamnopyranosylcatalpol
Molecular Formula : C21H32O14
Molecular Weight : 508.179206
More Details :
Names & Synonyms: (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[[(1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-2-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-methyl-tetrahydropyran-3,4,5-triol , (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[[(1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-2-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-6-methyloxane-3,4,5-triol , (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[[(1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-2-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol , (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-6-oxidanyl-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-2-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-methyl-oxane-3,4,5-triol , (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[[(1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-1a-methylol-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-2-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-methyl-tetrahydropyran-3,4,5-triol
Smiles: OC[C@@]12O[C@H]2[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O
InChi : InChI=1S/C21H32O14/c1-6-10(23)13(26)15(28)19(32-6)31-4-8-12(25)14(27)16(29)20(33-8)34-18-9-7(2-3-30-18)11(24)17-21(9,5-22)35-17/h2-3,6-20,22-29H,4-5H2,1H3/t6-,7+,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19+,20-,21+/m0/s1
InChi Key : InChIKey=XWHPACFHIYSUJO-PVTVHPEKSA-N
PubChem ID : 102252680
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 14 Ionization potential : 9.487349
Hydrogen bond donor count : 8 Electric dipole moment : 5.351
XLogP : -3.541 VDW volume : 430.416557
Molecular weight : 508.179206 HOMO-LUMO gap : 10.171000
Herb list :
Refrences & Litretures:
  
315.      Journal:'FABAD J. Pharm. Sci'      Year:'2004'      Volume:'29'      Page:'93'      DOI:''      Title:'Chemical Constituents of Verbascum L. Species'
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