946409-69-4
Product Name:
Pregn-5-en-20-one, 3-[(O-β-D-glucopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-O-6-deoxy-3-O-methyl-β-D-glucopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-12-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-, (3β,12β,14β)-
Formula:
C60H96O23
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COMPUTED DESCRIPTORS
| Molecular Weight | 1185.4 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 23 |
| Rotatable Bond Count | 19 |
| Exact Mass | 1184.63423931 g/mol |
| Monoisotopic Mass | 1184.63423931 g/mol |
| Topological Polar Surface Area | 294 Ų |
| Heavy Atom Count | 83 |
| Formal Charge | 0 |
| Complexity | 2270 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 29 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |