Molecular Identity
hesperidin
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
PubChem CID: 10621
Hesperidin is a disaccharide derivative that consists of hesperetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as a mutagen. It is a member of 4'-methoxyflavanones, a rutinoside, a monomethoxyflavanone, a dihydroxyflavanone, a member of 3'-hydroxyflavanones, a disaccharide derivative and a flavanone glycoside. It is functionally related to a hesperetin.
2D Structure
Properties
C28H34O15
Molecular Formula
610.60
Molecular Weight
g/mol
610.1898
Exact Mass
Da
-1.1
XLogP
Drug-like (Lipinski: < 5)
234
TPSA
May have limited oral absorption
8
H-Bond Donors
15
H-Bond Acceptors
940
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
hesperidin520-26-3CirantinHesperidosideHesperetin 7-rutinosideCiratin(S)-(-)-HesperidinHesperetin 7-rhamnoglucosideDIOSVEINDTXSID9044328E750O06Y6O(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-oneDTXCID7024328Hesperetin 7-O-rutinosideCHEBI:28775
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to hesperidin
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