143452-01-1 (b-D-吡喃葡萄糖苷,(3b,12b,23S,24S)-20,24-环氧-12,23,25-三羟基达玛烷-3-基-6-脱氧-a-L-吡喃甘露糖基-(1-2)-O-[6-脱氧-a-L-吡喃甘露糖基-(1-3)]-,b-D-Glucopyranoside, (3b,12b,23S,24S)-20,24-epoxy-12,23,25-trihydroxydammaran-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®3)]-)

CAS号:
143452-01-1
中文名称:
b-D-吡喃葡萄糖苷,(3b,12b,23S,24S)-20,24-环氧-12,23,25-三羟基达玛烷-3-基-6-脱氧-a-L-吡喃甘露糖基-(1-2)-O-[6-脱氧-a-L-吡喃甘露糖基-(1-3)]-
英文名称:
b-D-Glucopyranoside, (3b,12b,23S,24S)-20,24-epoxy-12,23,25-trihydroxydammaran-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®3)]-
分子式:
C48H82O18
分子量:
947.153897762299

b-D-吡喃葡萄糖苷,(3b,12b,23S,24S)-20,24-环氧-12,23,25-三羟基达玛烷-3-基-6-脱氧-a-L-吡喃甘露糖基-(1-2)-O-[6-脱氧-a-L-吡喃甘露糖基-(1-3)]-(143452-01-1)名称与标识符

名称

英文别名:
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(10R,12S,14R)-12-hydroxy-17-[(2S,4S,5S)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,6,10,14-pentamethyl-1,2,3,5,6,7,8,9,11,12,13,1;b-D-Glucopyranoside, (3b,12b,23S,24S)-20,24-epoxy-12,23,25-trihydroxydammaran-3-ylO-6-deoxy-a-...;12,23,25-Trihydroxy-20,24-epoxydammarane-3-O-rhamnosyl-1-2-rhamnosyl-1-3-glucoside;b-D-Glucopyranoside, (3b,12b,23S,24S)-20,24-epoxy-12,23,25-trihydroxydammaran-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®beta-D-Glucopyranoside, (3beta,12beta,23S,24S)-20,24-epoxy-12,23,25-trihydroxydammaran-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-3))-;beta-D-Glucopyranoside, (3beta,12beta,23S,24S)-20,24-epoxy-12,23,25-trihydroxydarmmaran-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(;Neoalsoside A;143452-01-1;(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(10R,12S,14R)-12-hydroxy-17-[(2S,4S,5S)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,6,10,14-pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-6-;beta-D-Glucopyranoside, (3beta,12beta,23S,24S)-20,24-epoxy-12,23,25-trihydroxydarmmaran-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-3))-;

标识符

InChIKey:
PKPZGKIGQKTIPZ-NZYAALCUSA-N
Inchi:
1S/C48H82O18/c1-19-15-23-24(16-25(50)29-22(11-13-45(23,29)8)47(10)17-26(51)39(65-47)44(6,7)60)46(9)14-12-28(43(4,5)38(19)46)48(66-42-37(59)34(56)31(53)21(3)62-42)40(35(57)32(54)27(18-49)64-48)63-41-36(58)33(55)30(52)20(2)61-41/h19-42,49-60H,11-18H2,1-10H3/t19?,20-,21-,22?,23?,24?,25-,26-,27+,28?,29?,30-,31-,32+,33+,34+,35-,36+,37+,38?,39-,40+,41-,42-,45+,46+,47-,48+/m0/s1
SMILES:
O[C@H]1CC2[C@@]3(C)CCC([C@]4([C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@H](C)O4)O)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@H](C)O4)O)O)O)C(C)(C)C3C(C)CC2[C@@]2(C)CCC([C@]3(C)C[C@@H]([C@@H](C(C)(C)O)O3)O)C21

b-D-吡喃葡萄糖苷,(3b,12b,23S,24S)-20,24-环氧-12,23,25-三羟基达玛烷-3-基-6-脱氧-a-L-吡喃甘露糖基-(1-2)-O-[6-脱氧-a-L-吡喃甘露糖基-(1-3)]-(143452-01-1)物化性质

实验特性

  • 沸点 : 1013°Cat760mmHg
  • 闪点 : 566.4°C
  • 密度 : 1.4

计算特性

  • 精确分子量 : 946.550116
  • 氢键供体数量 : 12
  • 氢键受体数量 : 18
  • 可旋转化学键数量 : 8
  • 同位素质量 : 946.550116
  • 重原子数量 : 66
  • 复杂度 : 1740
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 21
  • 不确定原子立构中心数量 : 7
  • 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) : 1.2
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 298