beta-D-Glucopyranoside, (3beta)-solanid-5-en-3-yl
PubChem CID: 12302826
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| Compound Synonyms | g-Chaconine, beta-D-Glucopyranoside, (3beta)-solanid-5-en-3-yl |
|---|---|
| Topological Polar Surface Area | 103.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 40.0 |
| Description | Alkaloid from potato subspecies (Solanum tuberosum and Solanum chacoense). gamma-Solanine is found in alcoholic beverages and potato. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1010.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-6-[(10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl)oxy]oxane-3,4,5-triol |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | 4.5 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C33H53NO6 |
| Inchi Key | IDGKMGZVTKHZDA-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | beta-D-Galactopyranoside, (3beta)-solanid-5-en-3-yl, g-Solanine, gamma-Solanine, g-Chaconine, Γ-chaconine, beta-D-Glucopyranoside, (3beta)-solanid-5-en-3-yl, gamma-Chaconine |
| Compound Name | beta-D-Glucopyranoside, (3beta)-solanid-5-en-3-yl |
| Kingdom | Organic compounds |
| Exact Mass | 559.387 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 559.387 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 559.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 16.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3 |
| Smiles | CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Oligosaccharides |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all