Ginsenoside Rd
Showing entry for Ginsenoside Rd
Identification
- PhytoHub ID
- PHUB002095
- Name
- Ginsenoside Rd
- Systematic Name
- Not Available
- Synonyms
- (20S)-ginsenoside Rd
- Gypenoside VIII
- CAS Number
- 52705-93-8
- Average Mass
- 947.166
- Monoisotopic Mass
- 946.5501158
- Chemical Formula
- C48H82O18
- IUPAC Name
- (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
- InChI Key
- RLDVZILFNVRJTL-IWFVLDDISA-N
- InChI Identifier
InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,45-,46+,47+,48-/m0/s1
- SMILES
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)C(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
- Structure
Structure for Ginsenoside Rd
Calculated Properties
- Solubility (ALOGPS)
- 3.90e-01 g/l
- LogS (ALOGPS)
- -3.39
- LogP (ALOGPS)
- 0.73
- Hydrogen Acceptors
- 18
- Hydrogen Donors
- 12
- Rotatable Bond Count
- 13
- Polar Surface Area
- 298.14
- Refractivity
- 234.4758000000002
- Polarizability
- 103.77779340696395
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.648377595753652
- pKa (strongest acidic)
- 11.847210111164959
- Number of Rings
- 7
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- Yes
Taxonomy as Metabolite
- Family
- Terpenoid metabolites
- Class
- Triterpenoid metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Ginsenoside Rb2 | Terpenoids | Triterpenoids | Saponins | Show Food Phytochemical |
| Ginsenoside Rc | Terpenoids | Triterpenoids | Saponins | Show Food Phytochemical |
| Ginsenosides | Terpenoids | Triterpenoids | Saponins | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Prenol lipids
- Super-class
- Lipids and lipid-like molecules
- Sub-class
- Terpene glycosides
- Direct Parent Name
- Triterpene saponins
- Alternative Parent Names
- ["12-hydroxysteroids", "14-alpha-methylsteroids", "Acetals", "Alkyl glycosides", "Cyclic alcohols and derivatives", "Disaccharides", "Fatty acyl glycosides of mono- and disaccharides", "Hydrocarbon derivatives", "O-glycosyl compounds", "Oxacyclic compounds", "Oxanes", "Polyols", "Primary alcohols", "Secondary alcohols", "Steroidal glycosides", "Triterpenoids"]
- External Descriptor Annotations
- ["beta-D-glucoside", "ginsenoside", "tetracyclic triterpenoid"]
- Substituent Names
- ["12-hydroxysteroid", "14-alpha-methylsteroid", "Acetal", "Alcohol", "Aliphatic heteropolycyclic compound", "Alkyl glycoside", "Cyclic alcohol", "Disaccharide", "Fatty acyl", "Fatty acyl glycoside", "Fatty acyl glycoside of mono- or disaccharide", "Glycosyl compound", "Hydrocarbon derivative", "Hydroxysteroid", "O-glycosyl compound", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Polyol", "Primary alcohol", "Secondary alcohol", "Steroid", "Steroidal glycoside", "Triterpene saponin", "Triterpenoid"]
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 | |||
|---|---|---|---|---|---|
| Ginsenoside Rb2 | Ginseng | Herbs and Spices | Publications | Show | |
| Ginsenoside Rc | Ginseng | Herbs and Spices | Publications | Show | |
| Ginsenosides | Ginseng | Herbs and Spices | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ginsenoside Rb2 | Ginsenoside Rd | human | plasma | gut microbiota metabolite | Not Available | Not Available | Not Available | C48H82O18 | 946.5501158 | Publications | |||
| Ginsenoside Rc | Ginsenoside Rd | human | plasma | gut microbiota metabolite | Not Available | Not Available | Not Available | C48H82O18 | 946.5501158 | Publications | |||
| Ginsenosides | Ginsenoside Rd | human | plasma | gut microbiota metabolite | 12h-24h | <20 nmol/L | Not Available | C48H82O18 | 946.5501158 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|