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Rhoifolin

CAT: 0127-BUP00103-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP00103-04Size:50 mg
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CAS Number
17306-46-6
Synonyms
Rhoifoloside, Apigenin-7-O-rhamnoglucoside, Apigenin 7-O-neohesperidoside
Purity
=98%
Smiles
C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)oc(cc4=O)-c3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

Chemical Information

Rhoifolin

Apigenin 7-O-neohesperidoside is an apigenin derivative having an alpha-(12)-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety attached to the 7-hydroxy group. It has a role as a metabolite. It is a neohesperidoside, a dihydroxyflavone and a glycosyloxyflavone. It is functionally related to an apigenin.

CAS Number17306-46-6
PubChem CID5282150
IUPAC Name7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular FormulaC27H30O14
Molecular Weight578.5
XLogP-0.2
Topological Polar Surface Area225
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity939
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
InChI
InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKey
RPMNUQRUHXIGHK-PYXJVEIZSA-N
Chemical Structure
2D Structure
2D structure of Rhoifolin
CAS: 17306-46-6
CID: 5282150
Formula: C27H30O14
MW: 578.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.5
XLogP3-0.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass578.16355563
Monoisotopic Mass578.16355563
Topological Polar Surface Area225 Ų
Heavy Atom Count41
Formal Charge0
Complexity939
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TB0434-0500Rhoifolin
A14744-10Rhoifolin 10mg
A14744-5Rhoifolin 5mg
A14744-25Rhoifolin 25mg
HY-N0755R-01Rhoifolin (Standard)

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