Kaempferol 3-(2''-rhamnosyl-6''-acetylgalactoside) 7-rhamnoside
PubChem CID: 14353451
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| Compound Synonyms | Kaempferol 3-(2''-rhamnosyl-6''-acetylgalactoside) 7-rhamnoside, CHEBI:192032, [3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl acetate |
|---|---|
| Topological Polar Surface Area | 310.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Inchi Key | PWWMGQJEFDUFKG-UHFFFAOYSA-N |
| Rotatable Bond Count | 10.0 |
| Synonyms | a-Rhamnoisorobin 3-O-[a-L-rhamnopyranosyl-(1->2)-6-O-acetyl-b-D-galactopyranoside], Kaempferol 3-(2''-rhamnosyl-6''-acetylgalactoside) 7-rhamnoside, Kaempferol 3-rhamnosyl-(1->2)(6''-acetylgalactoside)-7-rhamnoside |
| Heavy Atom Count | 55.0 |
| Compound Name | Kaempferol 3-(2''-rhamnosyl-6''-acetylgalactoside) 7-rhamnoside |
| Description | Isolated from Vicia faba. Kaempferol 3-(2''-rhamnosyl-6''-acetylgalactoside) 7-rhamnoside is found in pulses and broad bean. |
| Exact Mass | 782.227 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 782.227 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1370.0 |
| Hydrogen Bond Acceptor Count | 20.0 |
| Molecular Weight | 782.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl acetate |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C35H42O20/c1-11-21(39)25(43)28(46)33(49-11)51-16-8-17(38)20-18(9-16)52-30(14-4-6-15(37)7-5-14)31(24(20)42)54-35-32(27(45)23(41)19(53-35)10-48-13(3)36)55-34-29(47)26(44)22(40)12(2)50-34/h4-9,11-12,19,21-23,25-29,32-35,37-41,43-47H,10H2,1-3H3 |
| Smiles | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)COC(=O)C)O)O)O)O)O |
| Xlogp | -1.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C35H42O20 |
- 1. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:fooddb_chem_all