132160-35-1 ((b-D-Xylopyranoside, (3b,6a,16b,20R,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl2-O-(6-deoxy-a-L-mannopyranosyl)-(9CI))

CAS号:
132160-35-1
英文名称:
b-D-Xylopyranoside, (3b,6a,16b,20R,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl2-O-(6-deoxy-a-L-mannopyranosyl)-(9CI)
分子式:
C41H68O13
分子量:
768.970834732056

b-D-Xylopyranoside, (3b,6a,16b,20R,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl2-O-(6-deoxy-a-L-mannopyranosyl)-(9CI)(132160-35-1)名称与标识符

名称

英文别名:
b-D-Xylopyranoside, (3b,6a,16b,20R,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl2-O-(6-deoxy-a-L-mannopyranosyl)-(9CI);Astrachrysoside A;b-D-Xylopyranoside, (3b,6a,16b,20R,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl...;b-D-Xylopyranoside, (3b,6a,16b,20R,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl2-O-(6-deoxy-a-L-mannopyranosyl;(5xi,6beta,8xi,9xi,10xi,16alpha,20R,24S)-6,16,25-trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-xylopyranoside;3-O-(alpha-L-Rhamnopyranosyl-(1-2)-beta-D-xylopyranosyl)cycloastragenol;beta-D-Xylopyranoside, (3beta,6alpha,16beta,20R,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-;(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(9R,12S,14R,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;132160-35-1;6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-(6-deoxyhexopyranosyl)pentopyranoside;DTXSID40927560;

标识符

InChIKey:
LZRSXNSZMFQNOA-MUNPXEFMSA-N
Inchi:
1S/C41H68O13/c1-19-26(45)28(47)29(48)33(51-19)53-30-27(46)22(44)17-50-34(30)52-24-10-12-41-18-40(41)14-13-37(6)32(39(8)11-9-25(54-39)36(4,5)49)21(43)16-38(37,7)23(40)15-20(42)31(41)35(24,2)3/h19-34,42-49H,9-18H2,1-8H3/t19-,20+,21+,22+,23?,24?,25-,26-,27-,28+,29+,30+,31?,32-,33-,34-,37+,38-,39+,40?,41?/m0/s1
SMILES:
O[C@@H]1CC2[C@]3(C)C[C@H]([C@H]([C@@]4(C)CC[C@@H](C(C)(C)O)O4)[C@@]3(C)CCC32CC23CCC(C(C)(C)C21)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O

b-D-Xylopyranoside, (3b,6a,16b,20R,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl2-O-(6-deoxy-a-L-mannopyranosyl)-(9CI)(132160-35-1)物化性质

计算特性

  • 精确分子量 : 768.46599222g/mol
  • 氢键供体数量 : 8
  • 氢键受体数量 : 13
  • 可旋转化学键数量 : 6
  • 同位素质量 : 768.46599222g/mol
  • 重原子数量 : 54
  • 复杂度 : 1450
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 16
  • 不确定原子立构中心数量 : 5
  • 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) : 1.8
  • 拓扑分子极性表面积 : 208Ų