Quercetin 3-(4''-acetylrhamnoside) 7-rhamnoside
PubChem CID: 74978214
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| Compound Synonyms | Quercetin 3-(4''-acetylrhamnoside) 7-rhamnoside, CHEBI:191768, [6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate |
|---|---|
| Topological Polar Surface Area | 251.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Inchi Key | HXCHGMPJLNBHOE-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | Quercetin 3-(4''-acetylrhamnoside) 7-rhamnoside, Quercetin 3-(4''-acetylrhamnoside)-7-rhamnoside |
| Heavy Atom Count | 45.0 |
| Compound Name | Quercetin 3-(4''-acetylrhamnoside) 7-rhamnoside |
| Description | Isolated from Mespilus germanica (European medlar). Quercetin 3-(4''-acetylrhamnoside) 7-rhamnoside is found in medlar and fruits. |
| Exact Mass | 636.169 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 636.169 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1120.0 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 636.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C29H32O16/c1-9-19(34)21(36)23(38)28(40-9)43-13-7-16(33)18-17(8-13)44-26(12-4-5-14(31)15(32)6-12)27(20(18)35)45-29-24(39)22(37)25(10(2)41-29)42-11(3)30/h4-10,19,21-25,28-29,31-34,36-39H,1-3H3 |
| Smiles | CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)OC(=O)C)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O |
| Xlogp | 0.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C29H32O16 |
- 1. Outgoing r'ship
FOUND_INto/from Mespilus Germanica (Plant) Rel Props:Source_db:fooddb_chem_all