2,4,6-Trichlorol-3-methyl-5-methoxy-phenol 1-O-|A-d-glucopyranosyl-(1 inverted exclamation marku 6)-|A-d-glucopyranoside
Basic information
- CAS
1447969-66-5- Standard SMILES
COc1c(Cl)c(C)c(Cl)c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1Cl- InChIKey
QDJNFYQZJFPGQY-RENDGGBLSA-N- Molecular formula
- C20H27Cl3O12
- Average molar mass
- 565.8 g/mol
Names & identifiers
- Preferred name
- 2,4,6-Trichlorol-3-methyl-5-methoxy-phenol 1-O-|A-d-glucopyranosyl-(1 inverted exclamation marku 6)-|A-d-glucopyranoside
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2,4,6-trichloro-3-methoxy-5-methylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
- English name
- 2,4,6-trichlorol-3-methyl-5-methoxyphenol-1-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside
- Molecular formula
- C20H27Cl3O12
- Molecular weight
- 565.78
Names & synonyms
1447969-66-52,4,6-Trichlorol-3-methyl-5-methoxy-phenol 1-O-|A-d-glucopyranosyl-(1 inverted exclamation marku 6)-|A-d-glucopyranoside2,4,6-trichlorol-3-methyl-5-methoxyphenol-1-O-|A-D-glucopyranosyl-(1 inverted exclamation marku6)-|A-D-glucopyranoside2,4,6-trichlorol-3-methyl-5-methoxyphenol-1-O-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranoside2,4,6-trichlorol-3-methyl-5-methoxyphenol-1-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosideorb1984761HY-N8132AKOS040756820FS-7336CS-0140179E88968T38929
Show more names
β-D-Glucopyranoside, 2,4,6-trichloro-3-methoxy-5-methylphenyl 6-O-β-D-glucopyranosyl-2,4,6-trichlorol-3-methyl-5-methoxyphenol-1-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2,4,6-trichloro-3-methoxy-5-methylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol2,4,6-Trichlorol-3-methyl-5-methoxy-phenol 1-O-??-d-glucopyranosyl-(1 ?? 6)-??-d-glucopyranoside2,4,6-Trichlorol-3-methyl-5-methoxy-phenol 1-O-beta-d-glucopyranosyl-(1 --> 6)-beta-d-glucopyranoside2,4,6-TRICHLOROL-3-METHYL-5-METHOXY-PHENOL 1-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 681
Physicochemical properties
- Boiling point
- 798.1 · 798.1±60.0 °C(Predicted)
- Density
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- pka
- 12.61 · 12.61±0.70(Predicted)
Chemistry & industry
Applications
Uses2,4,6-Trichlorol-3-methyl-5-methoxy-phenol 1-O-β-d-glucopyranosyl-(1 → 6)-β-d-glucopyranoside is a chlorophenyl glycoside found in the bulbs of Lilium brownie var. viridulum. 2,4,6-Trichlorol-3-methyl-5-methoxy-phenol 1-O-β-d-glucopyranosyl-(1 → 6)-β-d-glucopyranoside exhibits weak inhibition of NO production in LPS-stimulated RAW 264.7 cells[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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