Identification

PhytoHub ID
PHUB000195
Name
Yamogenin
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
414.63
Monoisotopic Mass
414.313395212
Chemical Formula
C27H42O3
IUPAC Name
(1'S,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-en-16'-ol
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[[email protected]]1[[email protected]]2[[email protected]](C[[email protected]]3[[email protected]@H]4CC=C5C[[email protected]@H](O)CC[[email protected]]5(C)[[email protected]]4CC[[email protected]]23C)O[[email protected]]11CC[[email protected]](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
50.54280747580518
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.3962771891939112
pKa (strongest acidic)
18.204289505503816
Number of Rings
6
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Precursor

Family
Terpenoids
Class
Triterpenoids
Sub-class
Saponins

Spectra

No spectra information available

Food Sources

NameGroup
AsparagusVegetables, Other vegetables PublicationsShow

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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