Flavone base + 3O, C-Hex-FeruloylHex
PubChem CID: 131752281
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| Compound Synonyms | Flavone base + 3O, C-Hex-FeruloylHex |
|---|---|
| Topological Polar Surface Area | 292.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Inchi Key | VJSPPRJRRDZQLT-YCRREMRBSA-N |
| Rotatable Bond Count | 11.0 |
| Synonyms | Isovitexin 2''-O-(6'''-feruloyl)glucoside |
| Heavy Atom Count | 55.0 |
| Compound Name | Flavone base + 3O, C-Hex-FeruloylHex |
| Description | Constituent of Cucumis sativa (cucumber). Isovitexin 2''-(6'''-feruloylglucoside) is found in cucumber and fruits. |
| Exact Mass | 770.206 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 770.206 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1370.0 |
| Hydrogen Bond Acceptor Count | 18.0 |
| Molecular Weight | 770.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [6-[2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C37H38O18/c1-50-22-10-15(2-8-18(22)40)3-9-26(43)51-14-25-30(45)32(47)34(49)37(54-25)55-36-33(48)29(44)24(13-38)53-35(36)28-20(42)12-23-27(31(28)46)19(41)11-21(52-23)16-4-6-17(39)7-5-16/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/b9-3+ |
| Smiles | COC1=C(C=CC(=C1)/C=C/C(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)O)O)CO)O)O)O)O)O)O |
| Xlogp | 0.3 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C37H38O18 |
- 1. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:fooddb_chem_all