Tenuifoliside C
PubChem CID: 11968391
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| 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 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Sibirica (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Ambrosia Tenuifolia (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Cheilanthes Tenuifolia (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Cheilosoria Tenuifolia (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Daucus Sativus (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Iris Sibirica (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Lathyrus Sativus (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Liatris Tenuifolia (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Luisia Tenuifolia (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Monodora Tenuifolia (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Osyris Tenuifolia (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Persicaria Sibirica (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Pinus Sibirica (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Polygala Amara (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Polygala Amarella (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Polygala Arillata (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Polygala Arvensis (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Polygala Aureocauda (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Polygala Caudata (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Polygala Chinensis (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Polygala Crotalarioides (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Polygala Elongata (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Polygala Emodi (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Polygala Erioptera (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Polygala Fallax (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Polygala Fruticosa (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Polygala Glomerata (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Polygala Irregularis (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Polygala Leptalea (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Polygala Longifolia (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Polygala Macradenia (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Polygala Myrtifolia (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Polygala Paenea (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Polygala Peltatum (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Polygala Persicariaefolia (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Polygala Reinii (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Polygala Ruwenzoriensis (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Polygala Sabulosa (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Polygala Senega (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Polygala Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 43. Outgoing r'ship
FOUND_INto/from Polygala Telephioides (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 45. Outgoing r'ship
FOUND_INto/from Polygala Vulgaris (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Prunus Sibirica (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Raphanus Caudatus (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Raphanus Raphanistrum (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 50. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuifolia (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Senegalia Tenuifolia (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Tagetes Tenuifolia (Plant) Rel Props:Reference: