Identification

PhytoHub ID
PHUB000955
Name
Ginsenoside F1
Synonyms
Not Available
CAS Number
Not Available
Average Mass
638.883
Monoisotopic Mass
638.439383576
Chemical Formula
C36H62O9
IUPAC Name
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-{[(2R)-6-methyl-2-[(2R,8R,11R,14S,16S)-5,8,16-trihydroxy-2,6,6,11,14-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]hept-5-en-2-yl]oxy}oxane-3,4,5-triol
InChI Key
QLPKLNOLHUEWSE-RQVRODNYSA-N
InChI Identifier
InChI=1S/C36H62O9/c1-19(2)10-9-12-36(8,45-31-28(43)27(42)26(41)24(18-37)44-31)35(7)15-14-34(6)21-16-22(38)29-32(3,4)25(40)11-13-33(29,5)20(21)17-23(39)30(34)35/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[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@]1(C)CC[C@@]2(C)C1[C@@H](O)CC1C2C[C@@H](O)C2C(C)(C)C(O)CC[C@]12C
Structure

Calculated Properties

Solubility (ALOGPS)
6.95e-02 g/l
LogS (ALOGPS)
-3.96
LogP (ALOGPS)
2.54
Hydrogen Acceptors
9
Hydrogen Donors
7
Rotatable Bond Count
7
Polar Surface Area
160.07
Refractivity
171.16469999999995
Polarizability
72.31620143645338
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.841679048634017
pKa (strongest acidic)
12.207004964999417
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Ginsenoside ReTerpenoidsTriterpenoidsSaponinsShow Precursor

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Ginsenoside Re Ginsenoside F1human ratfaeces, plasma, urineC36H62O9638.439383576 Publications
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