Gipsoside
Basic information
- CAS
15588-68-8- Standard SMILES
CC1OC(OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(OC8OC(CO)C(OC9OC(CO)C(O)C(O)C9O)C(O)C8O)C(OC8OCC(O)C(O)C8O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O- InChIKey
VJDBQMHOQSSGGS-UHFFFAOYSA-N- Molecular formula
- C80H126O44
- Average molar mass
- 1,791.8 g/mol
- Monoisotopic mass
- 1,790.7621973
Overview
Gipsoside has been reported in Gypsophila pacifica and Gypsophila paniculata with data available.
Names & identifiers
- Preferred name
- Gipsoside
- IUPAC
- 6-[[8a-[5-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
- English name
- Gynostemma plant extract
- Molecular formula
- C80H126O44
- Molecular weight
- 1791.83
Names & synonyms
GipsosideRefChem:10857986-((8a-(5-(3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-3-(3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl)oxycarbonyl-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy)-3-(3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-5-hydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid15588-68-8(3beta,4alpha)-23,28-Dioxo-28-((O-D-xylopyranosyl-(1-3)-O-6-deoxy-D-galactopyranosyl-(1-4)-O-(O-D-xylopyranosyl-(1-3)-D-xylopyranosyl-(1-2))-6-deoxy-L-mannopyranosyl)oxy)olean-12-en-3-yl O-L-arabinopyranosyl-(1-3)-O-(O-D-galactopyranosyl-(1-4)-D-glucopyranosyl-(1-4))-D-glucopyransidosiduronic acidGynostemma Pentaphyllum P.E.Olean-12-en-28-oic acid, 3-beta-((O-L-arabinopyranosyl-(1-3)-O-(O-D-galactopyranosyl-(1-4)-D-glucopyranosyl-(1-4))-D-glucopyranuronosyl)oxy)-23-oxo-, O-D-xylopyranosyl-(1-3)-O-6-deoxy-D-galactopyranosyl-(1-4)-O-(O-D-xylopyranosyl-(1-3)-D-xylopyranosyl-(1-2))-6-deoxy-L-mannopyranosyl ester
Properties
Computed structural properties
- XLogP
- -8
- Topological polar surface area
- 683 Ų
- Hydrogen bond donors
- 23
- Hydrogen bond acceptors
- 44
- Rotatable bonds
- 23
- Heavy atoms
- 124
- Formal charge
- 0
- Complexity
- 3,670
Physicochemical properties
- Density
- 1.62 · 1.62
- pka
- 2.62 · 2.62±0.70(Predicted)
- InChIKey
- VJDBQMHOQSSGGS-ZNGHACPGNA-N
- 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
Applications
UsesGynostemma plant extract is the water or alcohol extract of Chinese medicine Gynostemma pentaphyllum rhizome or whole plant, and the main active ingredient is Gynostemma saponin. It has the functions of anti-inflammatory and detoxification, relieving cough and expectorating phlegm.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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