Macrophyllosaponin D

Base Information

• Chemical Name: Macrophyllosaponin D
• CAS No.: 184104-63-0
• Molecular Formula: C46H78O17
• Molecular Weight: 903.1013
• NSC Number: 726107
• DSSTox Substance ID: DTXSID40417734
• Wikidata: Q82227871
• Mol file: 184104-63-0.mol

Synonyms:Macrophyllosaponin D;NSC726107;184104-63-0;DTXSID40417734;NSC-726107

Chemical Property of Macrophyllosaponin D

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 994.5°C at 760 mmHg
• Flash Point: 555.2°C
• Density: 1.39g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 11
• Exact Mass: 902.52390102
• Heavy Atom Count: 63
• Complexity: 1640

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CC(C34CC35CCC6(C(CCC6(C5C(CC4C2(C)C)O)C)C(C)CCC(C(C)(C)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)C)O)O)O)O
• Isomeric SMILES: CC1C(C(C(C(O1)O[C@H]2C[C@@H]([C@]34C[C@]35CC[C@@]6(C(CC[C@]6(C5[C@H](CC4C2(C)C)O)C)[C@H](C)CC[C@@H](C(C)(C)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)C)O)O)O)O