trans-p-Coumaric acid 4-glucoside
PubChem CID: 13783633
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| Compound Synonyms | Coumaroyl Hexoside (isomer of 690, 691), trans-p-Coumaric acid 4-glucoside, SCHEMBL24760185, 3-[4-(beta-D-glucopyranosyloxy)phenyl]acrylic acid, 3-[4-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoic acid |
|---|---|
| Topological Polar Surface Area | 137.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 23.0 |
| Description | Constituent of Brassica subspecies and other plant subspecies trans-p-Coumaric acid 4-glucoside is found in many foods, some of which are red raspberry, brassicas, blackcurrant, and strawberry. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | 0.1 |
| Is Pains | False |
| Molecular Formula | C15H18O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LJFYQZQUAULRDF-ZZXKWVIFSA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 5.0 |
| Synonyms | (E)-3-(4-Hydroxyphenyl)-2-propenoic acid O-b-D-glucopyranoside, 4-O-b-D-Glucopyranosyl-p-coumaric acid, p-Coumaric acid 4-O-glucoside, trans-p-Coumaric acid 4-glucoside, trans-p-Coumaric acid 4-O-glucoside, (Z)-3-(4-Hydroxyphenyl)-2-propenoic acid 4-O-b-D-glucopyranoside, (Z)-3-(4-Hydroxyphenyl)-2-propenoic acid O-b-D-glucopyranoside, 4-O-beta-Glucopyranosyl-cis-p-coumaric acid, cis-p-Coumaric acid 4-glucoside, cis-p-Coumaric acid 4-O-b-D-glucopyranoside, cis-p-Coumaric acid 4-O-b-D-glucoside, 2-Propenoic acid, 3-(4-(beta-D-glucopyranosyloxy)phenyl)-, 3-(4-(beta-D-Glucopyranosyloxy)phenyl)-2-propenoic acid, 3-[4-(beta-D-glucopyranosyloxy)phenyl]acrylic acid, 3-[4-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoic acid, 4-O-[4-(2-carboxyvinyl)phenyl]-beta-D-glucopyranose, 4-O-beta-D-glucosyl-4-coumaric acid, 4-O-beta-D-Glucosyl-4-hydroxycinnamate |
| Compound Name | trans-p-Coumaric acid 4-glucoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.1 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 326.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 326.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.3670096782608694 |
| Inchi | InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+ |
| Smiles | C1=CC(=CC=C1/C=C/C(=O)O)OC2C(C(C(C(O2)CO)O)O)O |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eriobotrya Japonica (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ribes Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Rubus Idaeus (Plant) Rel Props:Source_db:cmaup_ingredients