3-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
PubChem CID: 5465152
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| Compound Synonyms | KARGP, NSC641259, 3-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, Kaempferol 3-(2G-apiosylrobinobioside), kaempferol 3-O-(apiofuranosyl-(1/'/'/'-2/'/')-rhamnopyranosyl-(1/'/'/'/'-6/'/'))-galactopyranoside, Kaempferol-3-O-[.beta.-D-apiofuranosyl(1-2)-.alpha.-rhamno pyranosyl(1-6)]-.beta.-D-galactopyranoside, CHEMBL2004567, CHEBI:191719, NSC-641259, NCI60_013918, 3-[3-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
|---|---|
| Topological Polar Surface Area | 304.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Inchi Key | PXDYLXHBUIPSMK-UHFFFAOYSA-N |
| Rotatable Bond Count | 9.0 |
| Synonyms | Kaempferol 3-(2G-apiosylrobinobioside), Kaempferol 3-(2Gal-apiosylrobinobioside), Kargp |
| Heavy Atom Count | 51.0 |
| Compound Name | 3-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Description | Constituent of seeds of quinoa (Chenopodium quinoa). Kaempferol 3-(2G-apiosylrobinobioside) is found in cereals and cereal products and quinoa. |
| Exact Mass | 726.201 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 726.201 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1240.0 |
| Hydrogen Bond Acceptor Count | 19.0 |
| Molecular Weight | 726.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Total Atom Stereocenter Count | 13.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C32H38O19/c1-11-19(37)22(40)24(42)29(47-11)45-8-17-20(38)23(41)27(51-31-28(43)32(44,9-33)10-46-31)30(49-17)50-26-21(39)18-15(36)6-14(35)7-16(18)48-25(26)12-2-4-13(34)5-3-12/h2-7,11,17,19-20,22-24,27-31,33-38,40-44H,8-10H2,1H3 |
| Smiles | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC6C(C(CO6)(CO)O)O)O)O)O)O)O |
| Xlogp | -2.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C32H38O19 |
- 1. Outgoing r'ship
FOUND_INto/from Chenopodium Quinoa (Plant) Rel Props:Source_db:fooddb_chem_all