Capsianoside I
PubChem CID: 14610541
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| Compound Synonyms | Capsianoside I, Capsianside I, (2E,6E,10E)-14-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoic acid, SCHEMBL20705407, CHEBI:169217, 14-[(2-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-4-hydroxy-2,6,10,14-tetramethyl-2,6,10,15-Hexadecatetraenoic acid, (2E,6E,10E)-14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoic acid, 14-[(2-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-4-hydroxy-2,6,10,14-tetramethyl-2,6,10,15-Hexade |
|---|---|
| Topological Polar Surface Area | 236.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 46.0 |
| Description | Constituent of Capsicum annuum variety fascuilatum Capsianosides are acyclic diterpene glycosides, water-soluble constituents present in the fruits of Paprika (Paprika Capsicum annuum L. variety grossum Bailey) and Jalapeno (Jalapeno Capsicum annuum L. variety annuum), that are used as vegetables and spices. Paprika is known for its high vitamin C content and has been isolated from Hungarian paprika in large amounts. Jalapeno is a stimulating spice which contains capsaicin and related compounds in its fruits and veins. (PMID: 17015971), The genus Capsicum (Solanaceae) includes many species widely cultivated in Asia, Africa, and Mediterranean countries. Peppers are native plants of America, and the fruits (pericarps) are consumed as vegetable foods, spices, and external medicines and are also a source of vitamins A, C, and E. Hot chili pepper has been used for centuries as a condiment to aid digestion. Traditionally, medical doctors advise ulcer patients not to consume spicy foods like pungent capsicum products, while naturopaths and herbalists have tended to use hot seasonings to relieve ulcers. Phytochemical investigations have been mainly focused on hot components of pepper species and qualitative and quantitative determinations of phenolic metabolites with antioxidant activities. (PMID: 17002415). Capsianoside I is found in many foods, some of which are italian sweet red pepper, pepper (c. annuum), yellow bell pepper, and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1080.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,6E,10E)-14-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoic acid |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 0.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acyl glycosides |
| Molecular Formula | C32H52O14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ISQUNAAALVXWGI-DFTZOVBQSA-N |
| Fcsp3 | 0.71875 |
| Logs | -1.989 |
| Rotatable Bond Count | 17.0 |
| State | Solid |
| Logd | -0.177 |
| Synonyms | Capsianoside I, Capsianside I, (2E,6E,10E)-14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate |
| Compound Name | Capsianoside I |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 660.336 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 660.336 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 660.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 12.0 |
| Total Bond Stereocenter Count | 3.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | -3.3438748000000027 |
| Inchi | InChI=1S/C32H52O14/c1-6-32(5,12-8-11-17(2)9-7-10-18(3)13-20(35)14-19(4)29(41)42)46-31-28(26(39)24(37)22(16-34)44-31)45-30-27(40)25(38)23(36)21(15-33)43-30/h6,10-11,14,20-28,30-31,33-40H,1,7-9,12-13,15-16H2,2-5H3,(H,41,42)/b17-11+,18-10+,19-14+ |
| Smiles | C/C(=C\CCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)/CC/C=C(\C)/CC(/C=C(\C)/C(=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 3.0 |
| Taxonomy Direct Parent | Sophorolipids |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Capsicum Baccatum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Capsicum Festigiatum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Capsicum Frutescens (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Capsicum Minimum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Capsicum Tetragonum (Plant) Rel Props:Reference: