PhytoHub: Showing entry for Ginsenoside C

Ginsenoside C

Identification

PhytoHub ID

PHUB002094

Name

Ginsenoside C

Systematic Name

Not Available

Synonyms

Compound K
Ginsenoside K
IH901

CAS Number

39262-14-1

Average Mass

622.884

Monoisotopic Mass

622.444468956

Chemical Formula

C₃₆H₆₂O₈

IUPAC Name

(2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

InChI Key

FVIZARNDLVOMSU-IRFFNABBSA-N

InChI Identifier

InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,44-31-30(42)29(41)28(40)23(19-37)43-31)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(39)32(3,4)24(33)12-17-34(25,35)6/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/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(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC=C(C)C)O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.49e-02 g/l
LogS (ALOGPS): -4.62
LogP (ALOGPS): 3.73
Hydrogen Acceptors: 8
Hydrogen Donors: 6
Rotatable Bond Count: 7
Polar Surface Area: 139.84
Refractivity: 169.6492
Polarizability: 71.36320248231408
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -0.8348778947848967
pKa (strongest acidic): 12.209293436965016
Number of Rings: 5
Rule of Five: No
Bioavailability: No
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: Yes

External Links

No external links

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
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", "3-beta-hydroxysteroids", "Acetals", "Alkyl glycosides", "Cyclic alcohols and derivatives", "Fatty acyl glycosides of mono- and disaccharides", "Hexoses", "Hydrocarbon derivatives", "O-glycosyl compounds", "Oxacyclic compounds", "Oxanes", "Polyols", "Primary alcohols", "Secondary alcohols", "Triterpenoids"]
External Descriptor Annotations: ["12beta-hydroxy steroid", "3beta-hydroxy steroid", "beta-D-glucoside", "ginsenoside", "tetracyclic triterpenoid"]
Substituent Names: ["12-hydroxysteroid", "14-alpha-methylsteroid", "3-beta-hydroxysteroid", "3-hydroxysteroid", "Acetal", "Alcohol", "Aliphatic heteropolycyclic compound", "Alkyl glycoside", "Cyclic alcohol", "Fatty acyl", "Fatty acyl glycoside", "Fatty acyl glycoside of mono- or disaccharide", "Glycosyl compound", "Hexose monosaccharide", "Hydrocarbon derivative", "Hydroxysteroid", "Monosaccharide", "O-glycosyl compound", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Polyol", "Primary alcohol", "Secondary alcohol", "Steroid", "Triterpene saponin", "Triterpenoid"]

Spectra from Online Resources

No spectra information available

Spectra from Phytohub

Spectrum Type	Description	Splash Key	Deposition Date	View

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
	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 C	human	plasma	gut microbiota metabolite	Not Available	Not Available	Not Available	C₃₆H₆₂O₈	622.444468956		Publications
	Ginsenosides		Ginsenoside C	human	plasma	gut microbiota metabolite	5h-8h	<20 nmol/L	Not Available	C₃₆H₆₂O₈	622.444468956	Detailed Intervention Studies	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Ginsenoside C