Identification

PhytoHub ID
PHUB000953
Name
Ginsenoside Rh1
Systematic Name
Not Available
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-{[(3aR,3bR,5S,7S,9aR,11R)-7,11-dihydroxy-1-(2-hydroxy-6-methylhept-5-en-2-yl)-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-5-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)=CCCC(C)(O)C1CC[[email protected]]2(C)C1[[email protected]](O)CC1[[email protected]@]3(C)CC[[email protected]](O)C(C)(C)C3[[email protected]](C[[email protected]@]21C)O[[email protected]@H]1O[[email protected]](CO)[[email protected]@H](O)[[email protected]](O)[[email protected]]1O
Structure

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
73.34628773404174
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.838900957340167
pKa (strongest acidic)
12.207106820940874
Number of Rings
5
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
Yes

Precursor Taxonomy

PrecursorFamilyClassSub-class
Ginsenoside ReTerpenoidsTriterpenoidsSaponinsShow Precursor

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Ginsenoside Re Ginsenoside Rh1human ratplasma, urine (minor)Not AvailableC36H62O9638.439383576 Publications
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