| CAS Number | 64032-49-1 |
| Catalog Number | AG00EGWC(AGN-PC-0TB2MS) |
| Chemical Name | Torachrysone 8-O-Glucoside |
| IUPAC Name | 1-[1-hydroxy-6-methoxy-3-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone |
| InChI | InChI=1S/C20H24O9/c1-8-4-10-5-11(27-3)6-12(15(10)17(24)14(8)9(2)22)28-20-19(26)18(25)16(23)13(7-21)29-20/h4-6,13,16,18-21,23-26H,7H2,1-3H3 |
| InChI Key | GHKWPHRULCFTBB-UHFFFAOYSA-N |
| MDL Number | MFCD20274770 |
| Molecular Formula | C20H24O9 |
| Molecular Weight | 408.3992 |
| SMILES | OC1=C(C(=CC2=CC(=CC(=C12)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC)C)C(C)=O |
| Synonyms | Torachrysone 8-O-Glucoside,
64032-49-1,
Torachrysone 8-glucoside,
1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone,
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| Complexity | 572 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 408.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 408.403g/mol |
| Monoisotopic Mass | 408.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 146A^2 |
| Undefined Atom Stereocenter Count | 5 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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Signal Words
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warning
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UN Code
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\N
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Certificate of Analysis
Lot Number