Quercetin 3-rutinoside-7-glucoside

Base Information

• Chemical Name: Quercetin 3-rutinoside-7-glucoside
• CAS No.: 30311-61-6
• Molecular Formula: C33H40 O21
• DSSTox Substance ID: DTXSID10184406
• Nikkaji Number: J865.895A
• Wikidata: Q83055325
• Mol file: 30311-61-6.mol

Synonyms:Quercetin 3-rutinoside-7-glucoside;30311-61-6;Quercetin 3-O-rutinoside-7-O-glucoside;Quercetin 3-rhamnoglucoside 7-beta-glucoside;Quercetin 3-rutinoside 7-glucoside (Morkotin A);2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;Flavone, 3,3',4',5,7-pentahydroxy-, 3-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside) 7-beta-D-glucopyranoside;DTXSID10184406;C33H40O21;HY-N10407;AKOS040735111;FS-6826;C33-H40-O21;XQ172648;CS-0527737;Quercetin 3- O- rutinoside- 7- O- glucoside;Quercetin 3-O-rutinoside-7-O-glucoside, tentative

Chemical Property of Quercetin 3-rutinoside-7-glucoside

Chemical Property:

• XLogP3: -3.1
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 9
• Exact Mass: 772.20620828
• Heavy Atom Count: 54
• Complexity: 1320

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O