Identification

PhytoHub ID
PHUB000195
Name
Yamogenin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
414.63
Monoisotopic Mass
414.313395212
Chemical Formula
C27H42O3
IUPAC Name
yamogenin
InChI Key
WQLVFSAGQJTQCK-CAKNJAFZSA-N
InChI Identifier
InChI=1S/C27H42O3/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/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
SMILES
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@H](C)CO1
Structure

Calculated Properties

Solubility (ALOGPS)
5.52e-04 g/l
LogS (ALOGPS)
-5.88
LogP (ALOGPS)
4.15
Hydrogen Acceptors
3
Hydrogen Donors
1
Rotatable Bond Count
0
Polar Surface Area
38.69
Refractivity
120.26589999999999
Polarizability
50.5168001848525
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.3962771891939112
pKa (strongest acidic)
18.204289505503816
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Taxonomy

Family
Terpenoids
Class
Triterpenoids
Sub-class
Saponins

Spectra

No spectra information available

Food Sources

NameGroup
AsparagusVegetables, Other vegetables PublicationsShow

Metabolism

No metabolism information available

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