Basic information
- CAS
81992-85-0- Standard SMILES
CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O- InChIKey
PEFASEPMJYRQBW-UHFFFAOYSA-N- Molecular formula
- C33H40O19
- Average molar mass
- 740.7 g/mol
- Monoisotopic mass
- 740.21637904
Overview
Robinin has been reported in Astragalus cicer, Melilotus officinalis, and Equisetum with data available.
Names & identifiers
- Preferred name
- 5-Hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
- IUPAC
- 5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Names & synonyms
81992-85-0NSC9222Kaempferol, robinosideSCHEMBL241940DTXSID30871629AKOS002137985AKOS0216175125-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-oneAJ-738/211660415-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one7-[(6-Deoxyhexopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside
Database identifiers
- CAS
81992-85-0- PubChem CID
- 5351997
- DTXSID
DTXSID30871629
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 304 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 8
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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