Basic information
- CAS
144118-18-3- Standard SMILES
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[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]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@H]2C1- InChIKey
MLIQJRVPWRKGIO-BIRDKCKZSA-N- Molecular formula
- C52H84O21
- Average molar mass
- 1,045.2 g/mol
- Monoisotopic mass
- 1,044.55050968
Overview
Elatoside F has been reported in Aralia dasyphylla with data available.
Names & identifiers
- Preferred name
- Elatoside F
- IUPAC
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
- English name
- [(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6a S,6aS,6bR,10S,12aS,14bS)-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2S,3R,4S,5R,6 R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3, 4,5-trihydroxyoxan-2-yl]oxy-oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethy l-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxyl ate
- Molecular formula
- C52H84O21
- Molecular weight
- 1045.21
Names & synonyms
Elatoside FOleanolic acid 3-O-(xylopyranosyl(1-2))(glucopyranosyl(1-3))arabinopyranoside, 28-O-glucopyranosyl esterRefChem:136459((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-((2S,3R,4S,5S)-5-hydroxy-4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylateOlean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-xylopyranosyl-(1-2))-alpha-L-arabinopyranosyl)oxy)-, beta-D-glucopyranosyl ester, (3beta)-Caraganoside ATarasaponin VIITarasaponinVII/ElatosideFOlean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]-, β-D-glucopyranosyl ester, (3β)-
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 334 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 11
- Heavy atoms
- 73
- Formal charge
- 0
- Complexity
- 2,010
Physicochemical properties
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 12.52 · 12.52±0.70(Predicted)
- InChIKey
- MLIQJRVPWRKGIO-GELPDTEYNA-N
Chemistry & industry
Applications
UsesElatoside F is a triterpenoid saponin with anti-inflammatory activity. Elatoside F inhibits lipopolysaccharide-induced nitric oxide production and nuclear factor NF-κB activation. Elatoside F can be isolated from Aralia elata in one step.
Suppliers14 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海澄绍生物科技有限公司021-61847300 13341622919 · [email protected]
浙江联硕生物科技有限公司18616526224 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
湖北萃园生物科技有限公司18162795156 18162795156 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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