Jujuboside D [M+H]+
Basic information
- CAS
194851-84-8- Standard SMILES
CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1- InChIKey
KVKRFLVYJLIZFD-UHFFFAOYSA-N- Molecular formula
- C58H94O26
- Average molar mass
- 1,207.3 g/mol
- Monoisotopic mass
- 1,206.6033331
Overview
See also: Jujuboside A (annotation moved to).
Names & identifiers
- Preferred name
- Jujuboside D [M+H]+
- IUPAC
- 2-[4-[4,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- English name
- JUJUBOSIDE D
- Molecular formula
- C58H94O26
- Molecular weight
- 1207.35
Names & synonyms
Jujuboside D [M+H]+orb1303754orb3140667LS-15516DB-052737S9213T3782Jujuboside A1Jujuba P.E.JUJUBOSIDE DJujuboside A1,Jujuboside Dα-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-D-galactopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosyl-(1→3)]-
Show more names
(3beta,16beta,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-D-galactopyranosyl-(1-2)-O-[O-beta-D-glucopyranosyl-(1-6)-O-[beta-D-xylopyranosyl-(1-2)]-beta-D-glucopyranosyl-(1-3)]-alpha-L-arabinopyranoside
Database identifiers
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 394 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 26
- Rotatable bonds
- 13
- Heavy atoms
- 84
- Formal charge
- 0
- Complexity
- 2,330
Experimental & physicochemical properties
Melting Point223 - 225 °C
Physical DescriptionSolid
Physicochemical properties
- Density
- 1.5 · 1.50
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- powder
- pka
- 12.81 · 12.81±0.70(Predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesJujuboside D is isolated from the seeds of Ziziphus jujube which exhibits lipoxygenase-inhibiting activity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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