2-[[6-[3,4-Dihydroxy-2-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 3320869
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| Topological Polar Surface Area | 348.0 |
|---|---|
| Hydrogen Bond Donor Count | 14.0 |
| Heavy Atom Count | 45.0 |
| Description | Isolated from seeds of Sesamum indicum (sesame). Sesamose is found in fats and oils and sesame. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 933.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Nih Violation | True |
| Class | Organooxygen compounds |
| Xlogp | -8.0 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C24H42O21 |
| Inchi Key | VGKIRQHUZIZMIP-UHFFFAOYSA-N |
| Rotatable Bond Count | 11.0 |
| Synonyms | a-D-Galactopyranosyl-(1->6)-[a-D-galactopyranosyl-(1->6)-a-D-glucopyranosyl-(1->2)]-b-D-fructofuranoside, a-D-Galactopyranosyl-(1->6)-b-D-fructofuranosyl-(2->1)-[a-D-galactopyranosyl-(1->6)]-a-D-glucopyranoside |
| Compound Name | 2-[[6-[3,4-Dihydroxy-2-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Kingdom | Organic compounds |
| Exact Mass | 666.222 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 666.222 |
| Hydrogen Bond Acceptor Count | 21.0 |
| Molecular Weight | 666.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 19.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-12(30)16(34)19(37)23(43-8)45-24(5-27)20(38)13(31)9(44-24)4-40-22-18(36)15(33)11(29)7(2-26)42-22/h6-23,25-38H,1-5H2 |
| Smiles | C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)CO)O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Oligosaccharides |
- 1. Outgoing r'ship
FOUND_INto/from Sesamum Indicum (Plant) Rel Props:Source_db:fooddb_chem_all