Capsianoside V
PubChem CID: 14610543
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| Compound Synonyms | Capsianoside V, (2E,6E,10Z)-4-hydroxy-10-(hydroxymethyl)-2,6,14-trimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoic acid, 121924-06-9, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate, Capsianside V, CHEBI:168483 |
|---|---|
| Topological Polar Surface Area | 177.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 36.0 |
| Description | Constituent of fruits of Capsicum annuum variety grossum. Capsianoside V is found in many foods, some of which are orange bell pepper, italian sweet red pepper, red bell pepper, and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 805.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,6E,10Z)-4-hydroxy-10-(hydroxymethyl)-2,6,14-trimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoic acid |
| Prediction Hob | 0.0 |
| Class | Prenol lipids |
| Xlogp | 1.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Terpene glycosides |
| Molecular Formula | C26H42O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XQQKZIVFXGPJHN-KMRBWUSPSA-N |
| Fcsp3 | 0.6538461538461539 |
| Rotatable Bond Count | 15.0 |
| Synonyms | Capsianoside V, Capsianside V, (2E,6E,10Z)-4-Hydroxy-10-(hydroxymethyl)-2,6,14-trimethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraenoate |
| Compound Name | Capsianoside V |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 514.278 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 514.278 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 514.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 3.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | -2.783994400000001 |
| Inchi | InChI=1S/C26H42O10/c1-5-26(4,36-25-23(32)22(31)21(30)20(15-28)35-25)11-7-10-18(14-27)9-6-8-16(2)12-19(29)13-17(3)24(33)34/h5,8,10,13,19-23,25,27-32H,1,6-7,9,11-12,14-15H2,2-4H3,(H,33,34)/b16-8+,17-13+,18-10- |
| Smiles | C/C(=C\CC/C(=C/CCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O)/CO)/CC(/C=C(\C)/C(=O)O)O |
| Defined Bond Stereocenter Count | 3.0 |
| Taxonomy Direct Parent | Diterpene glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all