REBAUDIOSIDE B (P) (NEW)

Chemical Information
Rebaudioside B is a rebaudioside that is steviol in which the hydroxy group is replaced by a beta-D-glucopyranosyl-(12)-[beta-D-glucopyranosyl-(13)]-beta-D-glucopyranosyl group. It has a role as a sweetening agent. It is a rebaudioside, a beta-D-glucoside and a trisaccharide derivative. It is functionally related to a beta-D-Glcp-(1->2)-[beta-D-Glcp-(1->3)]-beta-D-Glcp. It is a conjugate acid of a rebaudioside B(1-).
| CAS Number | 58543-17-2 |
| PubChem CID | 21593623 |
| IUPAC Name | (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| Molecular Formula | C38H60O18 |
| Molecular Weight | 804.9 |
| XLogP | -1 |
| Topological Polar Surface Area | 295 |
| Hydrogen Bond Donor Count | 11 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 56 |
| Formal Charge | 0 |
| Complexity | 1450 |
| Property | Value |
|---|---|
| Molecular Weight | 804.9 |
| XLogP3 | -1 |
| Hydrogen Bond Donor Count | 11 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 10 |
| Exact Mass | 804.37796506 |
| Monoisotopic Mass | 804.37796506 |
| Topological Polar Surface Area | 295 Ų |
| Heavy Atom Count | 56 |
| Formal Charge | 0 |
| Complexity | 1450 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 21 |
| 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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