68083-53-4
Product Name:
alpha-d-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-d-glucopyranuronosyl-, triammonium salt
Formula:
C42H62O16.3H3N
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COMPUTED DESCRIPTORS
| Molecular Weight | 874.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 11 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 7 |
| Exact Mass | 873.48343319 g/mol |
| Monoisotopic Mass | 873.48343319 g/mol |
| Topological Polar Surface Area | 270 Ų |
| Heavy Atom Count | 61 |
| Formal Charge | 0 |
| Complexity | 1730 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 19 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 4 |
| Compound Is Canonicalized | Yes |