Alliumoside E
Basic information
- CAS
56625-83-3- Standard SMILES
C[C@@H](CC[C@@]1(O)OC2CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO[C@@H]7O[C@H](C)[C@@H](O[C@@H]8O[C@H](C)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@@H]8O)[C@H](O)[C@@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
ZWNYQZLYFIWZCE-XDQXKVLTSA-N- Molecular formula
- C69H114O37
- Average molar mass
- 1,535.6 g/mol
- Monoisotopic mass
- 1,534.7038945
Names & identifiers
- Preferred name
- Alliumoside E
- IUPAC
- (2R,3R,4S,5S,6R)-2-[(2S)-4-[(6R,7S,9S,13R,16S)-16-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3S,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
Alliumoside E56625-83-3RefChem:1076352BRN 1361380beta-D-Glucopyranoside, (3-beta,22-alpha)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-beta-D-glucopyranosyl-(1-3)-O-(O-beta-D-glucopyranosyl-(1-4)-O-6-deoxyl-alpha-L-mannopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-beta-D-glucopyranosyl-(1-2))-
Database identifiers
- CAS
56625-83-3- PubChem CID
- 3085113
Properties
Computed structural properties
- XLogP
- -6
- Topological polar surface area
- 584 Ų
- Hydrogen bond donors
- 22
- Hydrogen bond acceptors
- 37
- Rotatable bonds
- 23
- Heavy atoms
- 106
- Formal charge
- 0
- Complexity
- 2,880
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…