Steviol glucuronide
Showing entry for Steviol glucuronide
Identification
- PhytoHub ID
- PHUB002092
- Name
- Steviol glucuronide
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 494.581
- Monoisotopic Mass
- 494.251582804
- Chemical Formula
- C26H38O9
- IUPAC Name
- 3,4,5-trihydroxy-6-[(4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carbonyloxy]oxane-2-carboxylic acid
- InChI Key
- UWKMRMSZJBDGGY-BWTHVTCGSA-N
- InChI Identifier
InChI=1S/C26H38O9/c1-13-11-25-9-5-14-23(2,15(25)6-10-26(13,33)12-25)7-4-8-24(14,3)22(32)35-21-18(29)16(27)17(28)19(34-21)20(30)31/h14-19,21,27-29,33H,1,4-12H2,2-3H3,(H,30,31)/t14-,15-,16?,17?,18?,19?,21?,23+,24+,25?,26-/m0/s1
- SMILES
C[C@@]12CCC[C@](C)([C@H]1CCC13CC(=C)[C@@](O)(C1)CC[C@@H]23)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O
- Structure
Structure for Steviol glucuronide
Calculated Properties
- Solubility (ALOGPS)
- 5.75e-01 g/l
- LogS (ALOGPS)
- -2.93
- LogP (ALOGPS)
- 1.35
- Hydrogen Acceptors
- 8
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 4
- Polar Surface Area
- 153.75
- Refractivity
- 121.19029999999995
- Polarizability
- 51.80174918191549
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -0.9239247176092089
- pKa (strongest acidic)
- 3.3583730279871107
- Number of Rings
- 5
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- Terpenoid metabolites
- Class
- Diterpenoid metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Stevioside | Terpenoids | Diterpenoids | Not Available | Show Food Phytochemical |
| Rebaudioside A | Terpenoids | Diterpenoids | Not Available | Show Food Phytochemical |
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Stevioside | Stevia (Stevia rebaudiana) | Vegetables, Leaf vegetables | Publications | Show | |
| Rebaudioside A | Stevia (Stevia rebaudiana) | Vegetables, Leaf vegetables | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Stevioside | Steviol glucuronide | human | plasma, urine | host-gut microbiota co-metabolite | 8h-12h | 50-200 nmol/L | 30-50% | C26H38O9 | 494.251582804 | Detailed Intervention Studies | Publications | ||
| Rebaudioside A | Steviol glucuronide | human | plasma | host-gut microbiota co-metabolite | 12h-24h | <20 nmol/L | Not Available | C26H38O9 | 494.251582804 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|