Notoginsenoside A

Base Information

• Chemical Name: Notoginsenoside A
• CAS No.: 193895-21-5
• Molecular Formula: C54H92O24
• Molecular Weight: 1125.2939
• Nikkaji Number: J842.629E
• Wikidata: Q105183582
• Mol file: 193895-21-5.mol

Synonyms:Notoginsenoside A;193895-21-5;beta-D-Glucopyranoside, (3beta,12beta)-20-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-12,25-dihydroxydammar-23-en-3-yl 2-O-beta-D-glucopyranosyl-;.beta.-D-Glucopyranoside, (3.beta.,12.beta.)-20-[(6-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosyl)oxy]-12,25-dihydroxydammar-23-en-3-yl 2-O-.beta.-D-glucopyranosyl-

Chemical Property of Notoginsenoside A

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1173.5°Cat760mmHg
• Flash Point: 663.5°C
• Density: 1.46g/cm³
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 16
• Exact Mass: 1124.59785380
• Heavy Atom Count: 78
• Complexity: 2040

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)CC(C6C3(CCC6C(C)(CC=CC(C)(C)O)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)O)C)C
• Isomeric SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C[C@H]([C@H]4[C@]3(CC[C@@H]4[C@](C)(C/C=C/C(C)(C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)C)O)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O