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远志皂苷Xxviii | 176182-01-7

远志皂苷Xxviii结构式图片|176182-01-7结构式图片
远志皂苷Xxviii
Polygalasaponin Xxviii
176182-01-7
C53H84O24
1105.2197
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:远志皂苷Xxviii结构式
197711
名称和标识符
InChIKey KVWTUWYHUKDWNS-LHJNYBJOSA-N
Inchi 1S/C53H84O24/c1-21-30(58)34(62)40(75-43-38(66)35(63)39(22(2)72-43)74-42-36(64)31(59)26(57)19-70-42)45(71-21)77-47(69)52-13-12-48(3,4)16-24(52)23-8-9-28-49(5)17-25(56)41(76-44-37(65)33(61)32(60)27(18-54)73-44)51(7,46(67)68)29(49)10-11-50(28,6)53(23,20-55)15-14-52/h8,21-22,24-45,54-66H,9-20H2,1-7H3,(H,67,68)/t21-,22+,24+,25+,26-,27-,28-,29-,30+,31+,32-,33+,34+,35+,36-,37-,38-,39+,40-,41+,42+,43+,44+,45+,49-,50-,51+,52+,53+/m1/s1
SMILES O([C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])[C@@]1([H])[C@]([H])(C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])([C@@]1(C(=O)O[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])[C@]3(C([H])([H])O[H])C([H])([H])C([H])([H])[C@@]4(C(=O)O[C@@]5([H])[C@@]([H])([C@]([H])([C@]([H])([C@@]([H])(C([H])([H])[H])O5)O[H])O[H])O[C@@]5([H])[C@@]([H])([C@@]([H])([C@]([H])([C@]([H])(C([H])([H])[H])O5)O[C@@]5([H])[C@@]([H])([C@]([H])([C@@]([H])(C([H])([H])O5)O[H])O[H])O[H])O[H])O[H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]4([H])C3=C([H])C([H])([H])[C@@]12[H])O[H]
别名信息
- 中文别名 -
- 英文别名 -
  • (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]ox
  • Polygalasaponin XXVIII
  • 2)-6-deoxy-b-D-galactopyranosyl) ester, (2b,3b,4a)-
  • 3-O-beta-D-Glucopyranosyl presenegenin-28-O-beta-D-galactopyranosyl-(1-3)-beta-D-xylopyranosyl-(1-4)-alpha-L-rhamnopyranosyl-(1-2)-(beta-D-glucopyranosyl-(1-3))-beta-D-fucopyranoside
  • 4)-O-6-deoxy-a-L-mannopyranosyl-(1&reg
  • beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(2beta,3beta)-3-(beta-D-glucopyranosyloxy)-2,24,27-trihydroxy-24,28-dioxoolean-12-en-28-yl]-beta-D-galactopyranose
  • Olean-12-ene-23,28-dioicacid, 3-(b-D-glucopyranosyloxy)-2,27-dihydroxy-,28-(O-b-D-xylopyranosyl-(1&reg
  • 3-O-beta-D-glucopyranosyl pesenegenin 28-O-beta-D-xylopyranosyl (1-->4)-alpha-L-rhamnopyranosyl (1-->2)-beta-D-fucopyranosyl ester
  • 176182-01-7
  • polygalasaponin XXVIII
物化性质
计算特性
精确分子量 1104.53525354g/mol
氢键供体数量 14
氢键受体数量 24
可旋转化学键数量 12
同位素质量 1104.53525354g/mol
重原子数量 77
复杂度 2180
同位素原子数量 0
确定原子立构中心数量 29
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) -1.7
互变异构体数量
表面电荷 0
拓扑分子极性表面积 391
专业数据库参考
PubChemId 197711
960化工网为您提供远志皂苷Xxviii专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:176182-01-7,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:176182-01-7
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