Identification

PhytoHub ID
PHUB000017
Name
Sarsasapogenin
Synonyms
  • Parigenin
CAS Number
Not Available
Average Mass
416.646
Monoisotopic Mass
416.329045277
Chemical Formula
C27H44O3
IUPAC Name
sarsasapogenin
InChI Key
GMBQZIIUCVWOCD-WWASVFFGSA-N
InChI Identifier
InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
SMILES
[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@H](C)CO1)O2
Structure

Calculated Properties

Solubility (ALOGPS)
3.28e-05 g/l
LogS (ALOGPS)
-7.10
LogP (ALOGPS)
4.52
Hydrogen Acceptors
3
Hydrogen Donors
1
Rotatable Bond Count
0
Polar Surface Area
38.69
Refractivity
119.41590000000001
Polarizability
51.10491354941721
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.3560752133131748
pKa (strongest acidic)
18.2963963211217
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Taxonomy

Family
Terpenoids
Class
Miscellaneous terpenoids
Sub-class
Saponins

Spectra

Record IDSourceDescriptionView
PS089401ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS089402ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS089403ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS089404ReSpectN/A Spectrum - 40, [M+H]+View Spectra
PS089501ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS089502ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS089503ReSpectN/A Spectrum - 30, [M+H]+View Spectra

Food Sources

NameGroup
AsparagusVegetables, Other vegetables PublicationsShow

Metabolism

No metabolism information available

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