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1415-73-2 | 9(10H)-Anthracenone, 10-β-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (10S)-
CAS No: 1415-73-2 Catalog No: AG001GID MDL No:MFCD00151160
Product Description
Catalog Number:
AG001GID
Chemical Name:
9(10H)-Anthracenone, 10-β-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (10S)-
CAS Number:
1415-73-2
Molecular Formula:
C21H22O9
Molecular Weight:
418.3940
MDL Number:
MFCD00151160
IUPAC Name:
(10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
InChI:
InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1
InChI Key:
AFHJQYHRLPMKHU-OSYMLPPYSA-N
SMILES:
OCc1cc(O)c2c(c1)[C@@H]([C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(O)ccc1
EC Number:
215-808-0
UNII:
648RW354S9
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
418.126g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
418.398g/mol
Monoisotopic Mass:
418.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| In vitro antimicrobial and antioxidant activities of anthrone and chromone from the latex of Aloe harlana Reynolds. | Phytotherapy research : PTR 20111201 |
| [Effects of enhanced UV-B radiation on leaf anthraquinones content and cell ultrastructure of Aloe vera L]. | Ying yong sheng tai xue bao = The journal of applied ecology 20100101 |
| The content of secondary phenol metabolites in pruned leaves of Aloe arborescens, a comparison between two methods: leaf exudates and leaf water extract. | Journal of natural medicines 20081001 |
| On the interaction of the anthraquinone barbaloin with negatively charged DMPG bilayers. | Langmuir : the ACS journal of surfaces and colloids 20080415 |
| Antioxidant actions of phenolic compounds found in dietary plants on low-density lipoprotein and erythrocytes in vitro. | Journal of the American College of Nutrition 20070601 |
| Antidiabetic effects of dietary administration of Aloe arborescens Miller components on multiple low-dose streptozotocin-induced diabetes in mice: investigation on hypoglycemic action and systemic absorption dynamics of aloe components. | Journal of ethnopharmacology 20060220 |
| Membrane-related effects underlying the biological activity of the anthraquinones emodin and barbaloin. | Biochemical pharmacology 20040801 |
| [Contents of barbaloin-related compounds in aloe drinks and their change during storage]. | Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20020601 |
| Determination of aloenin, barbaloin and isobarbaloin in aloe species by micellar electrokinetic chromatography. | Journal of chromatography. B, Biomedical sciences and applications 20010305 |
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