Hesperidin

Hesperidin
Compound Structure:
Synonyms: Hesperidin; Cirantin; Hesperidoside; Hesper bitabs; Hesperetin 7-rhamnoglucoside; Hesperetin 7-rutinoside; Hesperetin-rutinosid; Hesperidine; Ciratin; (S)-(-)-Hesperidin; Hesperetin 7-O-rutinoside; (2S)-Hesperidin; Hesperetin-7-O-rhamnoglucoside; Hesperid
Compound ID: NMPC-1108
PubChem ID:

10621
Molecular Formula: C28H34O15
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
InChIKey: QUQPHWDTPGMPEX-QJBIFVCTSA-N
About the compound:

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 disaccharide derivative, a member of 3'-hydroxyflavanones, a dihydroxyflavanone, a monomethoxyflavanone, a flavanone glycoside, a member of 4'-methoxyflavanones and a rutinoside. It is functionally related to a hesperetin.

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 42 of 42 companies. For more detailed information, please visit ECHA C&L website.
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

610.6 g/mol

XLogP3-AA

-1.1

Hydrogen Bond Donor Count

8

Hydrogen Bond Acceptor Count

15

Rotatable Bond Count

7

Exact Mass

610.18977037 g/mol

Monoisotopic Mass

610.18977037 g/mol

Topological Polar Surface Area

234Ų

Heavy Atom Count

43

Formal Charge

0

Complexity

940

Isotope Atom Count

0

Defined Atom Stereocenter Count

11

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem            
Source Species: Talinum triangulare
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