Swertipunicoside

Base Information

• Chemical Name: Swertipunicoside
• CAS No.: 137570-21-9
• Molecular Formula: C33H26O17
• Molecular Weight: 694.5493
• DSSTox Substance ID: DTXSID00160239
• Nikkaji Number: J432.688A
• Wikidata: Q27135146
• Metabolomics Workbench ID: 64612
• ChEMBL ID: CHEMBL502311
• Mol file: 137570-21-9.mol

Synonyms:Swertipunicoside;137570-21-9;CHEBI:66538;(2,4'-Bi-9H-xanthene)-9,9'-dione, 2'-beta-D-glucopyranosyl-1,1',3',4,6',7',8-heptahydroxy-6-methoxy-;1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-(1,4,8-trihydroxy-6-methoxy-9-oxoxanthen-2-yl)xanthen-9-one;(1S)-1,5-anhydro-1-(1,1',3',4,6',7',8-heptahydroxy-6-methoxy-9,9'-dioxo-9H,9'H-2,4'-bixanthen-2'-yl)-D-glucitol;1,5,8-Trihydroxy-3-methoxy-7-(1',3',6',7'-tetrahydroxy-9'-oxo-4'-xanthyl)xanthone-2'-C-beta-D-glucopyranoside;CHEMBL502311;DTXSID00160239;Q27135146;[2,4'-Bi-9H-xanthene]-9,9'-dione, 2'-.beta.-D-glucopyranosyl-1,1',3',4,6',7',8-heptahydroxy-6-methoxy-;1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4-(1,4,8-trihydroxy-6-methoxy-9-oxo-xanthen-2-yl)xanthen-9-one

Chemical Property of Swertipunicoside

Chemical Property:

• Boiling Point: 1148.7°Cat760mmHg
• Flash Point: 370.3°C
• PSA: 301.41000
• Density: 1.838g/cm³
• LogP: 1.33550
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 4
• Exact Mass: 694.11699936
• Heavy Atom Count: 50
• Complexity: 1270

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C2C(=C1)OC3=C(C=C(C(=C3C2=O)O)C4=C5C(=C(C(=C4O)C6C(C(C(C(O6)CO)O)O)O)O)C(=O)C7=CC(=C(C=C7O5)O)O)O)O
• Isomeric SMILES: COC1=CC(=C2C(=C1)OC3=C(C=C(C(=C3C2=O)O)C4=C5C(=C(C(=C4O)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C(=O)C7=CC(=C(C=C7O5)O)O)O)O