PhytoHub: Showing entry for Ginsenoside Rh2

Ginsenoside Rh2

Identification

PhytoHub ID

PHUB002102

Name

Ginsenoside Rh2

Systematic Name

Not Available

Synonyms

(20S)-ginsenoside Rh2

CAS Number

78214-33-2

Average Mass

622.884

Monoisotopic Mass

622.444468956

Chemical Formula

C₃₆H₆₂O₈

IUPAC Name

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

InChI Key

CKUVNOCSBYYHIS-IRFFNABBSA-N

InChI Identifier

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

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.22e-02 g/l
LogS (ALOGPS): -4.71
LogP (ALOGPS): 3.77
Hydrogen Acceptors: 8
Hydrogen Donors: 6
Rotatable Bond Count: 7
Polar Surface Area: 139.84
Refractivity: 169.64920000000004
Polarizability: 72.32796226417487
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -2.8388984516715547
pKa (strongest acidic): 12.208474411414986
Number of Rings: 5
Rule of Five: No
Bioavailability: No
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: Yes

External Links

ChEBI: 77147
FooDB (Compounds): FDB019163
PubChem: 119307

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 Rb1	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", "Cyclic alcohols and derivatives", "Hexoses", "Hydrocarbon derivatives", "O-glycosyl compounds", "Oxacyclic compounds", "Oxanes", "Polyols", "Primary alcohols", "Secondary alcohols", "Steroidal glycosides", "Tertiary alcohols", "Triterpenoids"]
External Descriptor Annotations: ["12beta-hydroxy steroid", "20-hydroxy steroid", "beta-D-glucoside", "ginsenoside", "tetracyclic triterpenoid"]
Substituent Names: ["12-hydroxysteroid", "14-alpha-methylsteroid", "20-hydroxysteroid", "Acetal", "Alcohol", "Aliphatic heteropolycyclic compound", "Cyclic alcohol", "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", "Steroidal glycoside", "Tertiary alcohol", "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 Rb1	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 Rb1		Ginsenoside Rh2	human	plasma	gut microbiota metabolite	Not Available	Not Available	Not Available	C₃₆H₆₂O₈	622.444468956		Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Ginsenoside Rh2