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瓜子金皂苷V | 162857-65-0

瓜子金皂苷V结构式图片|162857-65-0结构式图片
中文名称:瓜子金皂苷V
英文名称:Polygalasaponin V
CAS No.:162857-65-0 分子式:C58H94O27 分子量:1223.35076
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:瓜子金皂苷V结构式
价格行情:瓜子金皂苷V价格
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瓜子金皂苷V的其他展现形式
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积雪草苷 [(2S,3R,4R,5R,6S)-6-[[(2R,3R,4S,5R,6S)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,2S,4aR,6aS,6aR,6bR,8aS,9R,10R,11R,12aR,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate CAS No.:16830-15-2
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常春藤苷 C [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate CAS No.:14216-03-6
名称和标识符
InChIKey BSYPINHKKDTFTR-AEORMTLBSA-N
Inchi InChI=1S/C58H94O27/c1-24-41(81-46-38(70)33(65)28(64)20-76-46)37(69)40(72)47(78-24)83-43-42(82-50-44(73)58(75,22-62)23-77-50)35(67)30(19-60)80-49(43)85-51(74)57-14-12-52(2,3)16-26(57)25-8-9-32-53(4)17-27(63)45(84-48-39(71)36(68)34(66)29(18-59)79-48)54(5,21-61)31(53)10-11-56(32,7)55(25,6)13-15-57/h8,24,26-50,59-73,75H,9-23H2,1-7H3/t24-,26-,27-,28+,29+,30+,31+,32+,33-,34+,35+,36-,37-,38+,39+,40+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,53-,54-,55+,56+,57-,58+/m0/s1
SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@@H](CO)O[C@H]2OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CC[C@@H]6[C@@]7(C)C[C@@H]([C@@H]([C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]5(C)CC3)O[C@H]8[C@@H]([C@H]([C@@H]([C@@H](CO)O8)O)O)O)O)O)O[C@H]9[C@@H]([C@@](CO)(CO9)O)O)O)O)O[C@H]%10[C@@H]([C@H]([C@@H](CO%10)O)O)O
别名信息
- 中文别名 -
瓜子金皂苷V
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- 英文别名 -
Polygalasaponin V (2beta,3beta,4alpha)-3-(beta-D-Glucopyranosyloxy)-2,23-dihydroxyolean-12-en-28-oic acid O-D-apio-beta-D-furanosyl-(1→3)-O-[beta-D-xylopyranosyl-(1→4)]-O-6-deoxy-alpha-L-mannopyranosyl-(1→2)-beta-D-glucopyranosyl ester 3)-O-[beta-D-xylopyranosyl-(1→4)]-O-6-deoxy-alpha-L-mannopyranosyl-(1→(2beta,3beta,4alpha)-3-(beta-D-Glucopyranosyloxy)-2,23-dihydroxyolean-12-en-28-oic acid O-D-apio-beta-D-furanosyl-(1→(2beta,3beta,4alpha)-3-(beta-D-Glucopyranosyloxy)-2,23-dihydroxyolean-12-en-28-oic acid O-D-apio-beta-D-furanosyl-(1-3)-O-[beta-D-xylopyranosyl-(1-4)]-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-beta-D-glucopyranosyl ester [(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3
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物化性质
 计算特性
精确分子量 1222.59824772 g/mol
氢键供体数量 16
氢键受体数量 27
可旋转化学键数量 15
同位素质量 1222.59824772 g/mol
重原子数量 85
复杂度 2390
同位素原子数量 0
确定原子立构中心数量 32
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) -2
拓扑分子极性表面积 433Ų
分子量 1223.3
 实验特性
溶解度 Insuluble (1.6E-3 g/L) (25 ºC),
颜色与性状 Powder
密度 1.52±0.1 g/cm3 (20 ºC 760 Torr),
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