Astragalin 2''-xyloside 6''-rhamnoside
PubChem CID: 131752461
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | AKOS037514879, Astragalin 2''-xyloside 6''-rhamnoside |
|---|---|
| Topological Polar Surface Area | 304.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Heavy Atom Count | 51.0 |
| Description | Isolated from China tea (Camellia sinensis) seeds. Astragalin 2''-xyloside 6''-rhamnoside is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1230.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Nih Violation | True |
| Class | Flavonoids |
| Xlogp | -2.5 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C32H38O19 |
| Inchi Key | LLPRITPJQPQXIR-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| State | Solid |
| Synonyms | Astragalin 2''-O-xyloside 6''-O-rhamnoside, Astragalin 2''-xyloside 6''-rhamnoside, Camelliaside B, K-xyl-rha-glu, K-XYL-rha-glu, Camelliaside b, Kampferol 3-O-(2-O-xylopyranosyl-6-O-rhamnopyranosyl)glucopyranoside |
| Compound Name | Astragalin 2''-xyloside 6''-rhamnoside |
| Kingdom | Organic compounds |
| Exact Mass | 726.201 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 726.201 |
| Hydrogen Bond Acceptor Count | 19.0 |
| Molecular Weight | 726.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C32H38O19/c1-10-19(37)23(41)26(44)30(47-10)46-9-17-21(39)24(42)29(51-31-25(43)20(38)15(36)8-45-31)32(49-17)50-28-22(40)18-14(35)6-13(34)7-16(18)48-27(28)11-2-4-12(33)5-3-11/h2-7,10,15,17,19-21,23-26,29-39,41-44H,8-9H2,1H3 |
| 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(C(CO6)O)O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavonoid-3-O-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all