Yamogenin
precursor
Showing entry for Yamogenin
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
Taxonomy
- Family
- Terpenoids
- Class
- Triterpenoids
- Sub-class
- Saponins
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Asparagus | Vegetables, Other vegetables | Publications | Show |
Metabolism
No metabolism information available
Yamogenin