3-[3,5-Dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Base Information

• Chemical Name: 3-[3,5-Dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
• CAS No.: 137218-02-1
• Molecular Formula: C39H50 O19
• Molecular Weight: 822.8
• DSSTox Substance ID: DTXSID80929740
• Wikidata: Q82904820
• Mol file: 137218-02-1.mol

Synonyms:anhydroicaritin 3-O-rhamnopyranosyl(1-3)-rhamnopyranoside 7-O-glucopyranoside;hexandraside D

Chemical Property of 3-[3,5-Dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1074.3°Cat760mmHg
• PKA: 5.90±0.40(Predicted)
• Flash Point: 326°C
• PSA: 297.12000
• Density: 1.57g/cm³
• LogP: -1.08030
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 11
• Exact Mass: 822.29462936
• Heavy Atom Count: 58
• Complexity: 1450

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O