凤仙萜四醇苷 B | 156764-82-8

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
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
国内供应商

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

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

+展开

- 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

+展开

物化性质

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

实验特性

LogP	-1.98410
PSA	327.60000
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),

安全信息纠错

储存条件	Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month