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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
中文名称:凤仙萜四醇苷 B
英文名称:Hosenkoside B
CAS No.:156764-82-8 分子式:C48H82O20 分子量:979.1527
植物源: 急性子   番泻叶  
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
价格行情:凤仙萜四醇苷 B价格
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凤仙萜四醇苷 B的其他展现形式
  • 相关化合物
知母皂苷 B II (2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol CAS No.:136656-07-0
知母皂苷 A-III timosaponin A-III CAS No.:41059-79-4
拟人参皂苷 F11 Pseudoginsenoside F11 CAS No.:69884-00-0
毛地黄皂苷 digitonin CAS No.:11024-24-1
b-D-ribo-Hexopyranose,1,6-anhydro-3-deoxy-2-O-methyl-4-O-(2,4,4-trimethylpentyl)-, (S)- (9CI) CAS No.:123921-15-3
b-D-ribo-2-Heptulopyranose,2,7-anhydro-5-O-(cyclohexylmethyl)-1,4-dideoxy-3-O-methyl- (9CI) CAS No.:123920-94-5
名称和标识符
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
InChIKey GBXXXUUAOFPGRP-UHFFFAOYSA-N
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
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- 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
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物化性质
 计算特性
精确分子量 978.54000
同位素质量 978.54
同位素原子数量 0
氢键供体数量 13
氢键受体数量 20
重原子数量 68
可旋转化学键数量 12
复杂度 1700
共价键单元数量 1
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
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
 实验特性
颜色与性状 Powder
密度 1.44±0.1 g/cm3 (20 ºC 760 Torr),
溶解度 Insuluble (9.7E-3 g/L) (25 ºC),
PSA 327.60000
LogP -1.98410
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