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CAS 102040-03-9

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Tubeimoside I

Description:
Tubeimoside I is a natural compound classified as a triterpenoid saponin, primarily extracted from the plant species *Tubersis* in the family Liliaceae. It is known for its complex molecular structure, which typically includes a steroid-like backbone with various sugar moieties attached, contributing to its biological activity. Tubeimoside I exhibits a range of pharmacological properties, including anti-inflammatory, anti-tumor, and immunomodulatory effects, making it a subject of interest in medicinal chemistry and pharmacology. The compound has been studied for its potential therapeutic applications, particularly in cancer treatment and immune system modulation. Its mechanism of action often involves the induction of apoptosis in cancer cells and the inhibition of pro-inflammatory cytokines. Additionally, Tubeimoside I's solubility and stability in biological systems are important factors influencing its bioavailability and efficacy. As research continues, further insights into its pharmacokinetics and potential side effects are essential for evaluating its safety and effectiveness in clinical applications.
Formula:C63H98O29
InChI:InChI=1/C65H102O29/c1-27-45-47(90-51-42(79)36(73)30(70)23-84-51)44(81)53(86-27)91-48-37(74)31(71)24-85-54(48)94-56(82)65-17-15-57(2,3)25-62(65,8)34-12-14-64(10)61(7)20-29(69)50(59(5,26-67)33(61)11-13-63(64,9)60(34,6)16-18-65)93-55-49(40(77)38(75)32(22-66)87-55)92-52-43(80)39(76)41(78)46(89-52)28(68)19-58(4,83)21-35(72)88-45/h12,27,29-33,36-55,66-67,69-71,73-81,83H,11,13-26H2,1-10H3/t27-,29-,30+,31+,32+,33+,36-,37-,38+,39-,40-,41+,42+,43+,44+,45-,46-,47-,48+,49+,50-,51-,52-,53-,54-,55-,58-,59-,60+,61-,62-,63-,64+,65+/m0/s1
InChI key:InChIKey=MCPFEAJYKIXPQF-DXZAWUHFSA-N
SMILES:O=C1[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)([C@@](CO)(C)[C@]([C@@H](O)C6)(O[C@]7([C@](O[C@]8([C@H](O)[C@@H](O)[C@](CO8)(OC(=O)C[C@](C)(O)CC(=O)O[C@@]9([C@@H](O[C@H]%10[C@H](O)[C@@H](O)[C@H](O)CO%10)[C@@H](O)[C@](O[C@]%11([C@](O1)(OC[C@H](O)[C@@H]%11O)[H])[H])(O[C@H]9C)[H])[H])[H])[H])([C@@H](O)[C@H](O)[C@@H](CO)O7)[H])[H])[H])[H])[H])(CC(C)(C)CC3)[H]
Synonyms:
  • (1S,4S,7R,8S,9R,11S,13S,14S,18S,21R,22R,23S,24R,25R,27R,28S,29S,30R,32R,34R,35S,37S,38S,41R,42R,46S,53S,54R,56S,57R)-7,8,18,22,23,24,28,29,35,57-decahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,42,46,48,48,53,54-decamethyl-56-{[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-3,5,10,12,15,26,31,33,55-nonaoxadecacyclo[39.9.3.2~11,14~.1~21,25~.1~34,38~.0~1,46~.0~4,9~.0~27,32~.0~37,42~.0~45,53~]heptapentacont-44-ene-2,16,20-trione (non-preferred name)
  • Lobatoside H
  • Olean-12-en-28-oic acid, 3-[[2-O-[4-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-α-<span class="text-smallcaps">L</smallcap>-arabinopyranosyl]-β-<smallcap>D</smallcap>-glucopyranosyl]oxy]-2,23-dihydroxy-, 28-(O-β-<smallcap>D</smallcap>-xylopyranosyl-(1→3)-O-6-deoxy-α-<smallcap>L</smallcap>-mannopyranosyl-(1→2)-α-<smallcap>L</span>-arabinopyranosyl) ester, intramol. ester, [2β,3β(S),4α]-
  • Olean-12-en-28-oic acid, 3-[[2-O-[4-O-[(3S)-4-carboxy-3-hydroxy-3-methyl-1-oxobutyl]-α-<span class="text-smallcaps">L</smallcap>-arabinopyranosyl]-β-<smallcap>D</smallcap>-glucopyranosyl]oxy]-2,23-dihydroxy-, 28-(O-β-<smallcap>D</smallcap>-xylopyranosyl-(1→3)-O-6-deoxy-α-<smallcap>L</smallcap>-mannopyranosyl-(1→2)-α-<smallcap>L</span>-arabinopyranosyl) ester, intramol. 4′′(3)→4′′(28)-ester, (2β,3β,4α)-
  • Tubeimoside 1
  • Tubeimoside I
  • Tubelmosidea
  • Tubemoside A
  • Tuberimoside 1
  • hydroxy-3-methyl-1-oxobutyl)-α-L-arabinopyra
  • See more synonyms
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