139501-37-4 (环戊烷[c]吡喃-4-羧酸,1-(b-D-吡喃葡萄糖基氧基)-6-[[(1S,4aS,6S,7R,7aS)-1-(b-D-吡喃葡萄糖基氧基)-1,4a,5,6,7,7a-六氢-6-羟基-7-甲基环戊烷[c]吡喃-4-基]羰基]氧基]-1,4a,5,6,7,7a-六氢-7-甲基-,甲酯,(1S,4aS,6S,7R,7aS)-,Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-6-[[[(1S,4aS,6S,7R,7aS)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-yl]carbonyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, (1S,4aS,6S,7R,7aS)-)

CAS号:
139501-37-4
中文名称:
环戊烷[c]吡喃-4-羧酸,1-(b-D-吡喃葡萄糖基氧基)-6-[[(1S,4aS,6S,7R,7aS)-1-(b-D-吡喃葡萄糖基氧基)-1,4a,5,6,7,7a-六氢-6-羟基-7-甲基环戊烷[c]吡喃-4-基]羰基]氧基]-1,4a,5,6,7,7a-六氢-7-甲基-,甲酯,(1S,4aS,6S,7R,7aS)-
英文名称:
Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-6-[[[(1S,4aS,6S,7R,7aS)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-yl]carbonyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, (1S,4aS,6S,7R,7aS)-
分子式:
C33H48O19
分子量:
748.722832679749

环戊烷[c]吡喃-4-羧酸,1-(b-D-吡喃葡萄糖基氧基)-6-[[(1S,4aS,6S,7R,7aS)-1-(b-D-吡喃葡萄糖基氧基)-1,4a,5,6,7,7a-六氢-6-羟基-7-甲基环戊烷[c]吡喃-4-基]羰基]氧基]-1,4a,5,6,7,7a-六氢-7-甲基-,甲酯,(1S,4aS,6S,7R,7aS)-(139501-37-4)名称与标识符

名称

英文别名:
Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-6-[[[(1S,4aS,6S,7R,7aS)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-yl]carbonyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, (1S,4aS,6S,7R,7aS)-;Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-6-[[[(1S,4aS,6S,7R,7aS)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7;Ligustrinoside;Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-6-[[[1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-yl]carbonyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, [1S-[1a,4(1R*,4aR*,6R*,7S*,7aR*),4aa,6a,7a,7aa]]-;

标识符

InChIKey:
RFGKYBWBAYNUAA-RDVYHEPASA-N
Inchi:
1S/C33H48O19/c1-10-16(36)4-12-15(9-47-30(20(10)12)51-32-26(41)24(39)22(37)18(6-34)49-32)29(44)48-17-5-13-14(28(43)45-3)8-46-31(21(13)11(17)2)52-33-27(42)25(40)23(38)19(7-35)50-33/h8-13,16-27,30-42H,4-7H2,1-3H3/t10-,11-,12+,13+,16-,17-,18+,19+,20+,21+,22+,23+,24-,25-,26+,27+,30-,31-,32-,33-/m0/s1
SMILES:
[C@@H]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(OC)=O)[C@@]2([H])C[C@H](OC(C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]4([H])[C@@H](C)[C@@H](O)C[C@@]43[H])=O)[C@H](C)[C@@]12[H]

环戊烷[c]吡喃-4-羧酸,1-(b-D-吡喃葡萄糖基氧基)-6-[[(1S,4aS,6S,7R,7aS)-1-(b-D-吡喃葡萄糖基氧基)-1,4a,5,6,7,7a-六氢-6-羟基-7-甲基环戊烷[c]吡喃-4-基]羰基]氧基]-1,4a,5,6,7,7a-六氢-7-甲基-,甲酯,(1S,4aS,6S,7R,7aS)-(139501-37-4)物化性质

实验特性

  • LogP : -3.91010
  • PSA : 290.05000

计算特性

  • 精确分子量 : 748.27900
  • 氢键供体数量 : 9
  • 氢键受体数量 : 19
  • 重原子数量 : 52
  • 疏水参数计算参考值(XlogP) : -1.685

环戊烷[c]吡喃-4-羧酸,1-(b-D-吡喃葡萄糖基氧基)-6-[[(1S,4aS,6S,7R,7aS)-1-(b-D-吡喃葡萄糖基氧基)-1,4a,5,6,7,7a-六氢-6-羟基-7-甲基环戊烷[c]吡喃-4-基]羰基]氧基]-1,4a,5,6,7,7a-六氢-7-甲基-,甲酯,(1S,4aS,6S,7R,7aS)-(139501-37-4)推荐厂家 更多厂家(1)

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环戊烷[c]吡喃-4-羧酸,1-(b-D-吡喃葡萄糖基氧基)-6-[[(1S,4aS,6S,7R,7aS)-1-(b-D-吡喃葡萄糖基氧基)-1,4a,5,6,7,7a-六氢-6-羟基-7-甲基环戊烷[c]吡喃-4-基]羰基]氧基]-1,4a,5,6,7,7a-六氢-7-甲基-,甲酯,(1S,4aS,6S,7R,7aS)-(139501-37-4)上下游