123828-68-2 (2H-吡喃-5-羧酸,3-乙烯基-2-(b-D-吡喃葡萄糖基氧基)-3,4-二氢-4-[(1S)-2,3,4,9-四氢-2-甲基-1H-吡啶并[3,4-b]吲哚-1-基]甲基],(2S,3R,4S)-,2H-Pyran-5-carboxylicacid, 3-ethenyl-2-(b-D-glucopyranosyloxy)-3,4-dihydro-4-[[(1S)-2,3,4,9-tetrahydro-2-methyl-1H-pyrido[3,4-b]indol-1-yl]methyl]-,(2S,3R,4S)-)

CAS号:
123828-68-2
中文名称:
2H-吡喃-5-羧酸,3-乙烯基-2-(b-D-吡喃葡萄糖基氧基)-3,4-二氢-4-[(1S)-2,3,4,9-四氢-2-甲基-1H-吡啶并[3,4-b]吲哚-1-基]甲基],(2S,3R,4S)-
英文名称:
2H-Pyran-5-carboxylicacid, 3-ethenyl-2-(b-D-glucopyranosyloxy)-3,4-dihydro-4-[[(1S)-2,3,4,9-tetrahydro-2-methyl-1H-pyrido[3,4-b]indol-1-yl]methyl]-,(2S,3R,4S)-
分子式:
C27H34N2O9
分子量:
530.566868305206

2H-吡喃-5-羧酸,3-乙烯基-2-(b-D-吡喃葡萄糖基氧基)-3,4-二氢-4-[(1S)-2,3,4,9-四氢-2-甲基-1H-吡啶并[3,4-b]吲哚-1-基]甲基],(2S,3R,4S)-(123828-68-2)名称与标识符

名称

英文别名:
2H-Pyran-5-carboxylicacid, 3-ethenyl-2-(b-D-glucopyranosyloxy)-3,4-dihydro-4-[[(1S)-2,3,4,9-tetrahydro-2-methyl-1H-pyrido[3,4-b]indol-1-yl]methyl]-,(2S,3R,4S)-;(-)-Palicoside;1H-Pyrido[3,4-b]indole, 2H-pyran-5-carboxylic acid deriv.;2H-Pyran-5-carboxylicacid, 3-ethenyl-2-(b-D-glucopyranosyloxy)-3,4-dihydro-4-[(2,3,4,9-tetrahydro-2-methyl-1H-pyrido[3,4-b]indol-1-yl)methyl]-,[2S-[2a,3b,4b(R*)]]-;Palicoside;

标识符

InChIKey:
AZBVCHVFXBXKII-UHFFFAOYSA-N
Inchi:
1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-29(19)2)14-6-4-5-7-18(14)28-21)17(25(34)35)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-28,30-33H,1,8-11H2,2H3,(H,34,35)
SMILES:
CN1C(CC2C(C(=O)O)=COC(OC3C(O)C(O)C(O)C(CO)O3)C2C=C)C2NC3C(C=2CC1)=CC=CC=3

2H-吡喃-5-羧酸,3-乙烯基-2-(b-D-吡喃葡萄糖基氧基)-3,4-二氢-4-[(1S)-2,3,4,9-四氢-2-甲基-1H-吡啶并[3,4-b]吲哚-1-基]甲基],(2S,3R,4S)-(123828-68-2)物化性质

计算特性

  • 氢键供体数量 : 6
  • 氢键受体数量 : 11
  • 重原子数量 : 38
  • 疏水参数计算参考值(XlogP) : 0.314