Kaempferol 3-(2''-rhamnosylgalactoside) 7-rhamnoside
PubChem CID: 14353457
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| Compound Synonyms | Kaempferol 3-(2''-rhamnosylgalactoside) 7-rhamnoside, 124027-49-2, 3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one, MEGxp0_000808, ACon1_002269, CHEBI:139421, BRD-A67414810-001-01-8 |
|---|---|
| Topological Polar Surface Area | 304.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Heavy Atom Count | 52.0 |
| Description | Isolated from Vicia faba. Kaempferol 3-(2''-rhamnosylgalactoside) 7-rhamnoside is found in pulses and broad bean. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1260.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one |
| Nih Violation | True |
| Class | Flavonoids |
| Xlogp | -1.7 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C33H40O19 |
| Inchi Key | DDELFAUOHDSZJL-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | a-Rhamnoisorobin 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-galactopyranoside], Kaempferol 3-(2''-rhamnosylgalactoside) 7-rhamnoside, Kaempferol 3-[rhamnosyl-(1->2)-galactoside] 7-rhamnoside, Kaempferol 3-rhamnosyl-(1->2)-galactoside 7-rhamnoside, Kaempferol 3-rhamnosyl-(1->2)-galactoside-7-rhamnoside |
| Substituent Name | Flavonoid-7-o-glycoside, Flavonoid-3-o-glycoside, Hydroxyflavonoid, Flavone, 5-hydroxyflavonoid, 4'-hydroxyflavonoid, O-glycosyl compound, Glycosyl compound, Disaccharide, Chromone, 1-benzopyran, Benzopyran, Pyranone, Phenol, Benzenoid, Pyran, Oxane, Saccharide, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | Kaempferol 3-(2''-rhamnosylgalactoside) 7-rhamnoside |
| Kingdom | Organic compounds |
| Exact Mass | 740.216 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 740.216 |
| Hydrogen Bond Acceptor Count | 19.0 |
| Molecular Weight | 740.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(46-10)48-14-7-15(36)18-16(8-14)49-28(12-3-5-13(35)6-4-12)29(22(18)40)51-33-30(25(43)21(39)17(9-34)50-33)52-32-27(45)24(42)20(38)11(2)47-32/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3 |
| 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)CO)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Indoles |
- 1. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:fooddb_chem_all