PhytoHub: Showing entry for Ginsenoside Rh1

Ginsenoside Rh1

Identification

PhytoHub ID

PHUB000953

Name

Ginsenoside Rh1

Synonyms

Not Available

CAS Number

Not Available

Average Mass

638.883

Monoisotopic Mass

638.439383576

Chemical Formula

C₃₆H₆₂O₉

IUPAC Name

(2R,3R,4S,5S,6R)-2-{[(2R,5S,8S,10R,11R,16R)-5,16-dihydroxy-14-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

InChI Key

RAQNTCRNSXYLAH-GMRSYGDLSA-N

InChI Identifier

InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20?,21-,22+,23-,24?,25+,26?,27-,28+,29-,30?,31-,33-,34-,35-,36+/m1/s1

SMILES

CC(C)=CCC[C@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](O)C(C)(C)C3[C@H](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Structure

MOL SDF PDB SMILES InChI

Calculated Properties

Solubility (ALOGPS): 7.43e-02 g/l
LogS (ALOGPS): -3.93
LogP (ALOGPS): 2.68
Hydrogen Acceptors: 9
Hydrogen Donors: 7
Rotatable Bond Count: 7
Polar Surface Area: 160.07
Refractivity: 171.2417
Polarizability: 72.85519552334488
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -2.838900957340167
pKa (strongest acidic): 12.207106820940874

External Links

PubChem: 3085260

Precursor Taxonomy

Precursor	Family	Class	Sub-class
Ginsenoside Re	Terpenoids	Triterpenoids	Saponins	Show Precursor

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

	Precursor		Metabolite	Species	Biofluids	Formula	Monoisotopic mass
	Ginsenoside Re		Ginsenoside Rh1	human rat	plasma, urine (minor)	C₃₆H₆₂O₉	638.439383576	Publications

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Showing entry for Ginsenoside Rh1