This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Tenuifoliside C

PubChem CID: 11968391

Connections displayed (default: 10).
Loading graph...

Compound Synonyms Tenuifoliside C, 139726-37-7, (-)-Tenuifoliside C, UNII-LVZ4W45F47, LVZ4W45F47, [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate, alpha-D-Glucopyranoside, 3-O-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-beta-D-fructofuranosyl, 6-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate], alpha-D-Glucopyranoside, 3-O-((2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl)-beta-D-fructofuranosyl, 6-((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate), alpha-D-Glucopyranoside, 3-O-((2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-beta-D-fructofuranosyl, 6-((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate), alpha-D-Glucopyranoside, 3-O-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-beta-D-fructofuranosyl, 6-(3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate), (1(E),6(E))-, .ALPHA.-D-GLUCOPYRANOSIDE, 3-O-((2E)-1-OXO-3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPEN-1-YL)-.BETA.-D-FRUCTOFURANOSYL, 6-((2E)-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-2-PROPENOATE), .ALPHA.-D-GLUCOPYRANOSIDE, 3-O-((2E)-1-OXO-3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENYL)-.BETA.-D-FRUCTOFURANOSYL, 6-((2E)-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-2-PROPENOATE), .ALPHA.-D-GLUCOPYRANOSIDE, 3-O-(1-OXO-3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENYL)-.BETA.-D-FRUCTOFURANOSYL, 6-(3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-2-PROPENOATE), (1(E),6(E))-, Tenuifoliside-C, ((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-((2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-((E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl)oxyoxolan-2-yl)oxyoxan-2-yl)methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate, CHEMBL3581234, DTXSID701099966, [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate, HY-N2586, EX-A11231, AKOS032946070, DA-78320, MS-31390, CS-0022930, D84996, Q27283212, I+/--D-Glucopyranoside, 3-O-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-I(2)-D-fructofuranosyl, 6-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate]
Topological Polar Surface Area 268.0
Hydrogen Bond Donor Count 7.0
Heavy Atom Count 54.0
Isotope Atom Count 0.0
Molecular Complexity 1220.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 9.0
Iupac Name [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Prediction Hob 0.0
Xlogp -0.2
Molecular Formula C35H44O19
Prediction Swissadme 0.0
Inchi Key PMGMZCFZCYRJAG-KQTMLTHJSA-N
Fcsp3 0.4857142857142857
Logs -3.441
Rotatable Bond Count 18.0
Logd 0.408
Compound Name Tenuifoliside C
Prediction Hob Swissadme 0.0
Exact Mass 768.248
Formal Charge 0.0
Monoisotopic Mass 768.248
Hydrogen Bond Acceptor Count 19.0
Molecular Weight 768.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 9.0
Total Bond Stereocenter Count 2.0
Esol -3.481696044444448
Inchi InChI=1S/C35H44O19/c1-45-19-10-17(11-20(46-2)27(19)40)6-8-25(38)50-15-24-28(41)30(43)31(44)34(51-24)54-35(16-37)33(29(42)23(14-36)53-35)52-26(39)9-7-18-12-21(47-3)32(49-5)22(13-18)48-4/h6-13,23-24,28-31,33-34,36-37,40-44H,14-16H2,1-5H3/b8-6+,9-7+/t23-,24-,28-,29-,30+,31-,33+,34-,35+/m1/s1
Smiles COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)OC(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC)CO)O)O)O
Nring 4.0
Defined Bond Stereocenter Count 2.0