Basic information
- CAS
129741-57-7- Standard SMILES
C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12- InChIKey
OUHBKBTZUPLIIA-OTEDBJMHSA-N- Molecular formula
- C59H96O26
- Average molar mass
- 1,221.4 g/mol
- Monoisotopic mass
- 1,220.61898316
Overview
Pulchinenoside C has been reported in Gueldenstaedtia verna, Pulsatilla chinensis, and Pulsatilla cernua with data available.
Names & identifiers
- Preferred name
- Pulchinenoside B4
- IUPAC
- [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
- English name
- PULCHINENOSIDE B4
- Molecular formula
- C59H96O26
- Molecular weight
- 1221.38
Names & synonyms
Pulchinenoside C129741-57-7Pulchinenoside B4JP928BN4LERefChem:1097155((2S,3R,4S,5S,6R)-6-(((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxymethyl)-3,4,5-trihydroxyoxan-2-yl) (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-((2S,3R,4S,5S)-4,5-dihydroxy-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta(a)chrysene-3a-carboxylateAnemoside B4135247-95-9CHEMBL450226Lup-20(29)-en-28-oic acid, 3-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy]-23-hydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-->4)-O-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranosyl ester, (3beta,4alpha)-Anemoside B3-O-[alpha-L-rhamnopyranosyl-(1-->2)-alpha-L-arabinopyranosyl]-28-O-[alpha-L-rhamnopyranosyl-(1-->4)-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranosyl]-3beta,23-dihydroxylup-20(29)-en-28-oic acid
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 413 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 26
- Rotatable bonds
- 15
- Heavy atoms
- 85
- Formal charge
- 0
- Complexity
- 2,340
Physicochemical properties
- Melting point
- 208 · 208-215℃
- Density
- 1.48 · 1.48
- solubility
- 125 mg/mL · DMSO : 125 mg/mL (102.34 mM; Need ultrasonic)
- form
- Powder
- pka
- 12.5 · 12.50±0.70(Predicted)
- color
- White to light yellow
- Major Application
- pharmaceutical
- InChIKey
- OUHBKBTZUPLIIA-UFEMLMIJNA-N
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
Chemistry & industry
Applications
DescriptionPulchinenoside B4 is a triterpenoid glycoside that has been found in P. chinensis and has diverse biological activities. It inhibits cisplatin-induced apoptosis, increases in reactive oxygen species (ROS) production, and decreases in superoxide dismutase (SOD) and catalase activities in HEK293 cells when used at concentrations of 6 and 12 μM. Pulchinenoside B4 (50 and 100 mg/kg twice per day) prevents increases in plasma blood urea nitrogen (BUN) and creatinine levels, markers of kidney injury, in a mouse model of cisplatin-induced nephrotoxicity. It prevents xylene-induced ear edema in mice in a dose-dependent manner. Pulchinenoside B4 (50 mg/kg) inhibits LPS-induced increases in serum TNF-α, IL-6, and IL-1β levels a mouse model of LPS-induced systemic inflammation.
UsesPulchinenoside C is a triterpenoid saponin extract which acts as a minor molluscicidal agent in addition to tumor necrosis factor-α secretion inhibition. Anti-inflammatory.
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Related reactions
0 records
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Compound notes
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