Hancoside A

Base Information

• Chemical Name: Hancoside A
• CAS No.: 145701-08-2
• Molecular Formula: C44H62 O18
• Molecular Weight: 878.95
• Nikkaji Number: J2.072.358K
• Wikidata: Q104399445
• Mol file: 145701-08-2.mol

Synonyms:3beta,14beta,15beta-trihydroxypregn-5-en-20-one-3-O-beta-D-(6-sinapoyl)glucopyranosyl(1-2)-beta-D-glucopyranoside;hancoside A

Chemical Property of Hancoside A

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 186-188 °C(Solv: methanol (67-56-1); chloroform (67-66-3))
• Boiling Point: 1016.8°Cat760mmHg
• PKA: 9.75±0.36(Predicted)
• Flash Point: 298.3°C
• PSA: 280.82000
• Density: 1.47g/cm³
• LogP: 0.23650
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 13
• Exact Mass: 878.39361512
• Heavy Atom Count: 62
• Complexity: 1650

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CC(C2(C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)COC(=O)C=CC7=CC(=C(C(=C7)OC)O)OC)O)O)O)C)C)O)O
• Isomeric SMILES: CC(=O)[C@H]1C[C@H]([C@]2([C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)/C=C/C7=CC(=C(C(=C7)OC)O)OC)O)O)O)C)C)O)O