beta-D-Glucopyranoside, (3beta,6alpha,16beta,24R)-3-[(2,3-di-O-acetyl-beta-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl

Base Information

• Chemical Name: beta-D-Glucopyranoside, (3beta,6alpha,16beta,24R)-3-[(2,3-di-O-acetyl-beta-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl
• CAS No.: 91739-00-3
• Molecular Formula: C₄₅H₇₂O₁₆
• Molecular Weight: 869.057
• DSSTox Substance ID: DTXSID701102496
• Mol file: 91739-00-3.mol

Synonyms:beta-D-Glucopyranoside, (3beta,6alpha,16beta,24R)-3-[(2,3-di-O-acetyl-beta-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl;91739-00-3;DTXSID701102496

Chemical Property of beta-D-Glucopyranoside, (3beta,6alpha,16beta,24R)-3-[(2,3-di-O-acetyl-beta-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 11
• Exact Mass: 868.48203620
• Heavy Atom Count: 61
• Complexity: 1690

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C(COC(C1OC(=O)C)OC2CCC34CC35CCC6(C(C(CC6(C5CC(C4C2(C)C)OC7C(C(C(C(O7)CO)O)O)O)C)O)C8(CCC(O8)C(C)(C)O)C)C)O
• Isomeric SMILES: CC(=O)O[C@H]1[C@@H](CO[C@H]([C@@H]1OC(=O)C)O[C@H]2CC[C@]34C[C@]35CC[C@@]6([C@H]([C@H](C[C@]6([C@@H]5C[C@@H]([C@H]4C2(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)[C@@]8(CC[C@@H](O8)C(C)(C)O)C)C)O