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土贝母苷丙 | 115810-13-4

土贝母苷丙结构式图片|115810-13-4结构式图片
土贝母苷丙
Tubeimoside III
115810-13-4
C64H100O31
1365.4602
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:土贝母苷丙结构式
5489425
土贝母苷丙价格
简介

        土贝母苷丙是一种从中药“土贝母”中分离得到的三萜皂苷,具有有效的抗炎和抗肿瘤作用。在体内具急性毒性。

        白色结晶粉末,来源于土贝母Bolbostemma paniculatum (Maxim.)Franquet的干燥块茎。

名称和标识符
MDL MFCD22586602
InChIKey MTICHQXHYUJVDV-LLLISOPHSA-N
Inchi 1S/C64H100O31/c1-25-47-48(91-52-44(79)38(73)29(68)21-85-52)46(81)54(87-25)92-49-39(74)30(69)22-86-55(49)95-57(82)64-14-13-58(2,3)15-27(64)26-9-10-34-60(5)16-28(67)51(61(6,24-66)33(60)11-12-62(34,7)63(26,8)17-35(64)70)94-56-50(43(78)40(75)31(20-65)88-56)93-53-45(80)42(77)41(76)32(89-53)23-84-36(71)18-59(4,83)19-37(72)90-47/h9,25,27-35,38-56,65-70,73-81,83H,10-24H2,1-8H3/t25-,27-,28-,29+,30-,31+,32-,33+,34+,35+,38-,39-,40+,41-,42+,43-,44+,45-,46+,47-,48-,49+,50+,51-,52-,53-,54-,55-,56-,59-,60-,61-,62+,63+,64+/m0/s1
SMILES O1[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O2)O[H])O[H])O[C@@]2([H])[C@]([H])([C@@]([H])([C@]([H])([C@]([H])(C([H])([H])OC(C([H])([H])[C@@](C([H])([H])[H])(C([H])([H])C(=O)O[C@@]3([H])[C@]([H])(C([H])([H])[H])O[C@]([H])([C@@]([H])([C@]3([H])O[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])(C([H])([H])O3)O[H])O[H])O[H])O[H])O[C@]3([H])[C@]([H])([C@]([H])(C([H])([H])O[C@@]3([H])OC([C@]34C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]3([H])C3=C([H])C([H])([H])[C@]5([H])[C@@]6(C([H])([H])[H])C([H])([H])[C@@]([H])([C@@]1([H])[C@@](C([H])([H])[H])(C([H])([H])O[H])[C@]6([H])C([H])([H])C([H])([H])[C@@]5(C([H])([H])[H])[C@]3(C([H])([H])[H])C([H])([H])[C@@]4([H])O[H])O[H])=O)O[H])O[H])O[H])=O)O2)O[H])O[H])O[H]
别名信息
- 中文别名 -
  • 土贝母苷丙
  • 土贝母苷丙Tubeimoside III
  • 土贝母苷丙对照品
  • 托品铜甙III
  • 土贝母皂苷丙
- 英文别名 -
  • TubeiMosideIII
  • Olean-12-en-28-oicacid, 3-[[2-O-[6-O-[(3S)-4-carboxy-3-hydroxy-3-methyl-1-oxobutyl]-b-D-glucopyranosyl]-b-D-glucopyranosyl]oxy]-2,16,23-trihydroxy-,28-(O-b-D-xylopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl) ester, intramol. 6''(3)®4''(28)-ester, (2b,3b,4a,16a)-
  • Olean-12-en-28-oicacid, 3-[[2-O-[6-O-[(3S)-4-carboxy-3-hydroxy-3-methyl-1-oxobutyl]-b-D-glucop...
  • Tubeimoside C
  • (2beta,3beta(S),4alpha,16alpha)-28-(O-beta-D-Xylopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl) 3-((2-O-(6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)oxy)-2,16,23-trihydroxyolean-12-en-28-oate
  • Olean-12-en-28-oic acid, 3-((2-O-(6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)oxy)-2,16,23-trihydroxy-
  • TubeimosideⅢ
  • Tubeimoside III
  • (1R,4S,7S,8S,9R,11S,13S,14S,18S,23S,24R,25R,26S,27S,29R,30S,31S,32R,34R,36R,37S,39R,40R,43R,44R,48S,
  • CID 102004830
  • Tubeimoside III
  • (1R,4S,7S,8S,9R,11S,13S,14S,18S,23S,24R,25R,26S,27S,29R,30S,31S,32R,34R,36R,37S,39R,40R,43R,44R,48S,
  • 115810-13-4
  • 7,8,18,24,25,26,30,31,37,53,59-undecahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-(3,4,5-trihydroxyoxan-2-yl)oxy-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione
  • AKOS037514884
  • FT-0775339
  • Olean-12-en-28-oic acid, 3-((2-O-(6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)oxy)-2,16,23-trihydroxy-, 28-(O-beta-D-xylopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl) ester, intramol. ester, (2beta,3beta(S),4alpha,16alpha)-
  • tubeimoside III
物化性质
实验特性
LogP -4.34470
PSA 485.65000
溶解度 Very 微溶 (0.11 g/L) (25 ºC),
颜色与性状 Powder
密度 1.54±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 1364.62000
氢键供体数量 16
氢键受体数量 31
可旋转化学键数量 4
同位素质量 1364.6248564 g/mol
重原子数量 95
复杂度 2800
同位素原子数量 0
确定原子立构中心数量 35
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) -3.6
拓扑分子极性表面积 486
分子量 1365.5
生产方法和用途
用途 用于含量测定/鉴定/药理实验等。
专业数据库参考
PubChemId 5489425
化合物详情(旧版)

物理化学性质

产品用途

应用领域







化学品安全说明书(MSDS)



储运特性





扩展阅读
土贝母苷丙 http://www.biopurify.cn/Phytochemicals/Tubeimoside%20III.html
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