F-Gitonin
Basic information
- CAS
28591-01-7- Standard SMILES
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C- InChIKey
AULWDENWMBJIIQ-KHXIKGBRSA-N- Molecular formula
- C50H82O23
- Average molar mass
- 1,051.2 g/mol
- Monoisotopic mass
- 1,050.52468886
Overview
f-gitonin has been reported in Hosta plantaginea, Chlorophytum comosum, and other organisms with data available.
Names & identifiers
- Preferred name
- F-Gitonin
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- gitonin
- Molecular formula
- C50H82O23
- Molecular weight
- 1051.17228
Names & synonyms
F-GitoninUNII-97MUO7997G97MUO7997G28591-01-7EINECS 249-096-8F-GITONIN [MI]F-GITONIN, (-)-GITOGENIN .BETA.-LYCOTETRAOSIDEGITOGENIN 3-O-.BETA.-LYCOTETRAOSIDE.BETA.-D-GALACTOPYRANOSIDE, (2.ALPHA.,3.BETA.,5.ALPHA.,25R)-2-HYDROXYSPIROSTAN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-XYLOPYRANOSYL-(1->3))-O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-gitogenin beta-lycotetraosideRefChem:139845
Show more names
gitonin6-Deoxyaginoside(25R)-3β-[[4-O-(2-O-β-D-Glucopyranosyl-3-O-β-D-xylopyranosyl-β-D-glucopyranosyl)-β-D-galactopyranosyl]oxy]-5α-spirostane-2α-ol(25R)-3β-[4-O-[2-O-(β-D-Glucopyranosyl)-3-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]-β-D-galactopyranosyloxy]-5α-spirostane-2α-ol[(25R)-2α-Hydroxy-5α-spirostane-3β-yl]4-O-(2-O-β-D-glucopyranosyl-3-O-β-D-xylopyranosyl-β-D-glucopyranosyl)-β-D-galactopyranoside[(25R)-2α-Hydroxy-5α-spirostan-3β-yl]4-O-[2-O-(β-D-glucopyranosyl)-3-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]-β-D-galactopyranoside
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 355 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 11
- Heavy atoms
- 73
- Formal charge
- 0
- Complexity
- 1,870
Physicochemical properties
- FDA UNII
- 97 MUO7997G · 97MUO7997G
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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