Hosenkoside A（CAS号：156791-82-1）

凤仙萜四醇皂苷A

基本信息

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CAS号

156791-82-1

分子式

C48H82O20

分子量

979.15 g/mol

化学分类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

聚合物和塑料热塑性塑料聚烯烃

实验室化学品科研化学品生化试剂

基本物理性质

物理状态

Powder

溶解度

Insuluble (9.8E-3 g/L) (25 ºC),

SMILES

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OC[C@H]1O[C@@H](OC[C@]2(C)[C@H](CC[C@]3([C@H]2CC[C@@]2([C@@H]3CC[C@H]3[C@@]2(C)CC[C@]2([C@@H]3O)CC[C@H](OC2)[C@H](CO)C)C)C)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI

InChI=1S/C48H82O20/c1-22(16-49)24-8-13-48(21-62-24)15-14-46(4)23(40(48)61)6-7-29-44(2)11-10-30(45(3,28(44)9-12-47(29,46)5)20-63-41-37(59)34(56)31(53)25(17-50)64-41)67-43-39(36(58)33(55)27(19-52)66-43)68-42-38(60)35(57)32(54)26(18-51)65-42/h22-43,49-61H,6-21H2,1-5H3/t22-,23+,24-,25+,26+,27+,28+,29+,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,46+,47+,48+/m0/s1

InChIKey

JUKFJOYCFLIWIA-MDQYKXRHSA-N

LogP

-1.9840999999999893

拓扑极性表面积

327.6 Å²

氢键供体/受体

13 / 20

复杂度

1700

安全信息

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储存条件

2-8℃

同义词与引用数据

英文

b-D-Glucopyranoside,(1R,2S,4aR,4bR,6'S,6aR,7R,8S,10aR,10bR,12aS)-7-[(b-D-glucopyranosyloxy)methyl]octadecahydro-1-hydroxy-6'-[(1S)-2-hydroxy-1-methylethyl]-4a,4b,7,10a-tetramethylspiro[chrysene-2(1H),3'(4'H)-[2H]pyran]-8-yl2-O-b-D-glucopyranosyl- (9CI)
b-D-Glucopyranoside, (3b,4a,18b,19S,20S)-19,28-epoxy-23-(b-D-glucopyranosyloxy)-18,29-dihydroxy-18,19-secolupan-3-yl 2-O-b-D-glucopyranosyl-
18,19-Secolupane, b-D-glucopyranoside deriv.
Spiro[chrysene-2(1H),3'(4'H)-[2H]pyran], b-D-glucopyranoside deriv.
Hosenkoside A
b-D-Glucopyranoside,[[1R,2S-[S-(S)],4aR,4bR,6aR,7R,8S,10aR,10bR,12aS]-8-[(2-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]octadecahydro-1-hydroxy-6'-(2-hydroxy-1-methylethyl)-4a,4b,7,10a-tetramethylspiro[chrysene-2(1H),3'(4'H)-[2H]pyran]-7-yl]methyl
8,19-Secolupane, β-D-glucopyranoside deriv.
b-D-Glucopyranoside,(1R,2S,4aR,4bR,6'S,6aR,7R,8S,10aR,10bR,12aS)-7-[(b-D-glucopyranosyloxy)methyl]octadecahydro-1-hydroxy-6'-
b-D-Glucopyranoside,(1R,2S,4aR,4bR,6'S,6aR,7R,8S,10aR,10bR,12aS)-7-[(b-D-glucopyranosyloxy)methyl]octadecahydro-1-hydroxy-6'-[(1S)-2-hydroxy-1-methylethyl]-4a,4b,7,10a-tetramethylspiro[chrysene-2(1H),
b-D-Glucopyranoside,[[1R,2S-[S-(S)],4aR,4bR,6aR,7R,8S,10aR,10bR,12aS]-8-[(2-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]octadecahydro-1-hydroxy-6'-(2-hydroxy-1-methyl
18,19-Secolupane, β-D-glucopyranoside deriv