149155-50-0 (b-D-吡喃葡萄糖苷,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-六氢-1a-(羟甲基)-6-甲氧基氧杂戊并[4,5]环戊基[1,2-c]吡喃-2-基6-O-b-D-吡喃木糖基-(9CI),b-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-methoxyoxireno[4,5]cyclopenta[1,2-c]pyran-2-yl6-O-b-D-xylopyranosyl- (9CI))

CAS号:
149155-50-0
中文名称:
b-D-吡喃葡萄糖苷,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-六氢-1a-(羟甲基)-6-甲氧基氧杂戊并[4,5]环戊基[1,2-c]吡喃-2-基6-O-b-D-吡喃木糖基-(9CI)
英文名称:
b-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-methoxyoxireno[4,5]cyclopenta[1,2-c]pyran-2-yl6-O-b-D-xylopyranosyl- (9CI)
分子式:
C21H32O14
分子量:
508.470388412476

b-D-吡喃葡萄糖苷,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-六氢-1a-(羟甲基)-6-甲氧基氧杂戊并[4,5]环戊基[1,2-c]吡喃-2-基6-O-b-D-吡喃木糖基-(9CI)(149155-50-0)名称与标识符

名称

英文别名:
b-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-methoxyoxireno[4,5]cyclopenta[1,2-c]pyran-2-yl6-O-b-D-xylopyranosyl- (9CI);2-[[1a-(hydroxymethyl)-6-methoxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-2-yl]oxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol;b-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-met...;b-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-methoxyoxireno[4,5]cyclopenta[1,2-;(1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-1a,1b,2,5a,6,6a-Hexahydro-1a-(hydroxymethyl)-6-methoxyoxireno(4,5)cyclopenta(1,2-c)pyran-2-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside;1a,1b,2,5a,6,6a-Hexahydro-1a-(hydroxymethyl)-6-methoxyoxireno(4,5)cyclopenta(1,2-c)pyran-2-yl 6-O-beta-D-xylopyranosyl-beta-D-Glucopyranoside (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-;6'-O-(beta-D-Xylopyranosyl)methylcatalpol;Karsoside;1a-(Hydroxymethyl)-6-methoxy-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl 6-O-pentopyranosylhexopyranoside;beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-methoxyoxireno(4,5)cyclopenta(1,2-c)pyran-2-yl 6-O-beta-D-xylopyranosyl-, (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-;DTXSID00933561;2-[[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol;149155-50-0;AKOS040752236;

标识符

InChIKey:
LOKOJGZZDJOXCS-UHFFFAOYSA-N
Inchi:
1S/C21H32O14/c1-29-16-7-2-3-30-18(10(7)21(6-22)17(16)35-21)34-20-15(28)13(26)12(25)9(33-20)5-32-19-14(27)11(24)8(23)4-31-19/h2-3,7-20,22-28H,4-6H2,1H3
SMILES:
O1C2C(C3C=COC(C3C12CO)OC1C(C(C(C(COC2C(C(C(CO2)O)O)O)O1)O)O)O)OC

b-D-吡喃葡萄糖苷,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-六氢-1a-(羟甲基)-6-甲氧基氧杂戊并[4,5]环戊基[1,2-c]吡喃-2-基6-O-b-D-吡喃木糖基-(9CI)(149155-50-0)物化性质

实验特性

  • 折射率 : 1.651
  • 沸点 : 776.2°Cat760mmHg
  • 闪点 : 423.2°C
  • 密度 : 1.66

计算特性

  • 精确分子量 : 508.179
  • 氢键供体数量 : 7
  • 氢键受体数量 : 14
  • 可旋转化学键数量 : 7
  • 同位素质量 : 508.179
  • 重原子数量 : 35
  • 复杂度 : 783
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 15
  • 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) : -4.8
  • 拓扑分子极性表面积 : 210Ų