Steviolbioside

Chemical Information
Steviolbioside is a beta-D-glucoside that is steviolmonoside in which the hydroxy group at position 2 of the glucoside moiety has been converted into its beta-D-glucoside. It has a role as an antitubercular agent, a sweetening agent and a plant metabolite. It is a beta-D-glucoside, a monocarboxylic acid, a bridged compound, an ent-kaurane diterpenoid, a tetracyclic diterpenoid and a diterpene glycoside. It is functionally related to a steviolmonoside. It is a conjugate acid of a steviolbioside(1-).
| CAS Number | 41093-60-1 |
| PubChem CID | 16401639 |
| IUPAC Name | (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| Molecular Formula | C32H50O13 |
| Molecular Weight | 642.7 |
| XLogP | 0.6 |
| Topological Polar Surface Area | 216 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1150 |
| Property | Value |
|---|---|
| Molecular Weight | 642.7 |
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 7 |
| Exact Mass | 642.32514165 |
| Monoisotopic Mass | 642.32514165 |
| Topological Polar Surface Area | 216 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1150 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 16 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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