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
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)-
139501-37-4
C33H48O19
748.722832679749
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击: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)-结构式
名称和标识符
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] |
别名信息
- 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]]-
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)-推荐生产厂家