Chinensioside B

Base Information

• Chemical Name: Chinensioside B
• CAS No.: 366814-43-9
• Molecular Formula: C65H106O31
• Molecular Weight: 1383.51854
• DSSTox Substance ID: DTXSID901316829
• Nikkaji Number: J1.608.003I
• Wikidata: Q105307514
• ChEMBL ID: CHEMBL509384
• Mol file: 366814-43-9.mol

Synonyms:3-O-(beta-D-glucopyranosyl(1-->4))(alpha-L-rhamnopyranosyl(1-->2))-alpha-L-arabinopyranosyl-23-hydroxybetulinic acid 28-O-alpha-L-rhamnopyranosyl(1-->4)-beta-D-glucopyranosyl(1-->6)-beta-D-glucopyranosyl ester;pulsatilloside E

Chemical Property of Chinensioside B

Chemical Property:

• Melting Point: 216-218℃
• PSA: 491.97000
• Density: 1.52±0.1 g/cm3 (20 oC 760 Torr)
• LogP: -4.86430
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 18
• Hydrogen Bond Acceptor Count: 31
• Rotatable Bond Count: 18
• Exact Mass: 1382.6718066
• Heavy Atom Count: 96
• Complexity: 2670

Purity/Quality:

95%-98% ^*data from raw suppliers

Pulsatilloside E; Chinensioside B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(C4C6CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)CO)OC9C(C(C(CO9)OC1C(C(C(C(O1)CO)O)O)O)O)OC1C(C(C(C(O1)C)O)O)O)C)C(=C)C)O)O)O)CO)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@]45CC[C@H]([C@@H]4[C@H]6CC[C@@H]7[C@]8(CC[C@@H]([C@@]([C@@H]8CC[C@]7([C@@]6(CC5)C)C)(C)CO)O[C@H]9[C@@H]([C@H]([C@H](CO9)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)C)C(=C)C)O)O)O)CO)O)O)O
• Uses: Chinensioside B is a oleanane-type triterpenoid saponin from Pulsatilla koreana which exhibits inhibitory effects.