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凤仙萜四醇苷 B | 156764-82-8

凤仙萜四醇苷 B结构式图片|156764-82-8结构式图片
凤仙萜四醇苷 B
Hosenkoside B
156764-82-8
C48H82O20
979.1527
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:凤仙萜四醇苷 B结构式
124928622
凤仙萜四醇苷 B价格
简介
Hosenkoside B是从凤仙花种子中分离出的一种糖苷。
名称和标识符
InChIKey GBXXXUUAOFPGRP-UHFFFAOYSA-N
Inchi 1S/C48H82O20/c1-22(19-62-41-37(59)34(56)31(53)25(16-49)64-41)24-8-13-48(21-63-24)15-14-46(4)23(40(48)61)6-7-29-44(2)11-10-30(45(3,20-52)28(44)9-12-47(29,46)5)67-43-39(36(58)33(55)27(18-51)66-43)68-42-38(60)35(57)32(54)26(17-50)65-42/h22-43,49-61H,6-21H2,1-5H3
SMILES O([H])C1([H])C2(C([H])([H])OC([H])(C([H])(C([H])([H])[H])C([H])([H])OC3([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O3)O[H])O[H])O[H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C1([H])C3(C([H])([H])[H])C([H])([H])C([H])([H])C([H])(C(C([H])([H])[H])(C([H])([H])O[H])C3([H])C([H])([H])C([H])([H])C12C([H])([H])[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])O[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])O[H])O[H]
别名信息
- 中文别名 -
  • 凤仙萜四醇苷B
  • 凤仙萜四醇苷B 95
  • 凤仙萜四醇皂苷B
  • 凤仙萜四醇苷 B
- 英文别名 -
  • b-D-Glucopyranoside,(1R,2S,4aR,4bR,6'R,6aR,7R,8S,10aR,10bR,12aS)-6'-[(1R)-2-(b-D-glucopyranosyloxy)-1-methylethyl]octadecahydro-1-hydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethylspiro[chrysene-2(1H),3'(4'H)-[2H]pyran]-8-yl2-O-b-D-glucopyranosyl- (9CI)
  • b-D-Glucopyranoside,(1R,2S,4aR,4bR,6'R,6aR,7R,8S,10aR,10bR,12aS)-6'-[(1R)-2-(b-D-glucopyranosyloxy)-1-methylethyl]octadecahyd
  • b-D-Glucopyranoside,(1R,2S,4aR,4bR,6'R,6aR,7R,8S,10aR,10bR,12aS)-6'-[(1R)-2-(b-D-glucopyranosyloxy)-1-methylethyl]octadecahydro-1-hydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethylspiro[chrysene-2(1H),
  • Spiro[chrysene-2(1H),3'(4'H)-[2H]pyran], β-D-glucopyranoside deriv.
  • 18,19-Secolupane, b-D-glucopyranoside deriv.
  • b-D-Glucopyranoside, (3b,4a,18b,19R,20R)-19,28-epoxy-29-(b-D-glucopyranosyloxy)-18,23-dihydroxy-18,19-secolupan-3-yl 2-O-b-D-glucopyranosyl-
  • Hosenkoside B
  • Spiro[chrysene-2(1H),3'(4'H)-[2H]pyran], b-D-glucopyranoside deriv.
  • (2R,3R,4S,5S,6R)-2-[(2R)-2-[(1R,2S,2'R,4Ar,4bR,6aR,7R,8S,10aR,10bR,12aS)-8-[(2R,3R,4S,5S,6R)-4,5-dih
  • 2-[2-[8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl
  • CS-0019573
  • MS-31829
  • AKOS037515119
  • 156764-82-8
  • HosenkosideB
  • C48H82O20
  • HY-N2250
  • (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-[(1R,2S,4aR,4bR,6'R,6aR,7R,8S,10aR,10bR,12aS)-7-(hydroxymethyl)-4a,4b,7,10a-tetramethyl-6'-[(2R)-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl]-dodecahydro-1H-spiro[chrysene-2,3'-oxan]-1-oloxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
物化性质
实验特性
LogP -1.98410
PSA 327.60000
沸点 1075.9±65.0 °C at 760 mmHg
蒸气压 0.0±0.6 mmHg at 25°C
闪点 604.5±34.3 °C
溶解度 Insuluble (9.7E-3 g/L) (25 ºC),
颜色与性状 Powder
密度 1.44±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 978.54000
氢键供体数量 13
氢键受体数量 20
可旋转化学键数量 12
同位素质量 978.54
重原子数量 68
复杂度 1700
同位素原子数量 0
确定原子立构中心数量 27
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) 0.2
拓扑分子极性表面积 328
分子量 979.2
专业数据库参考
PubChemId 124928622
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