CAS 520-26-3|Hesperetin-7-rhamnoglucoside|5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4...

General Information

Structure

Molecular Formula

C₂₈H₃₄O₁₅

Molecular Mass

610.56056

Exact Mass

610.18977039

Charge

InChI

InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3

InChIKey

QUQPHWDTPGMPEX-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O

Isomeric Smiles

COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)cc2O

Calculated Properties

JChem

Acid pKa

9.513047

H Acceptors

H Donor

LogD (pH = 5.5)

-0.31459883

LogD (pH = 7.4)

-0.31787366

Log P

-0.314557

Molar Refractivity

140.767

Polarizability

56.677265

Polar Surface Area

234.29

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Hesperetin-7-rhamnoglucosideHESPERIDINHesperitin-7-rutinoside

IUPAC name

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one

IUPAC Traditional name

@hesperidin

Names and Identifiers

Registration numbers

CAS Number

EC Number

PubChem SID

PubChem CID