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

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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