62369-72-6 (葡萄糖苷II,2-alpha,3-beta,23-trihydroxy-olean-12-en-28-oic acid-28-O-beta-D-glucopyranoside)

CAS号:
62369-72-6
中文名称:
葡萄糖苷II
英文名称:
2-alpha,3-beta,23-trihydroxy-olean-12-en-28-oic acid-28-O-beta-D-glucopyranoside
分子式:
C36H58O10
分子量:
650.839732646942

葡萄糖苷II(62369-72-6)名称与标识符

名称

中文别名:
葡萄糖苷II;
英文别名:
2-alpha,3-beta,23-trihydroxy-olean-12-en-28-oic acid-28-O-beta-D-glucopyranoside;2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid 28-O-beta-D-glucopyranoside;2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid 28-O-beta-D-glucoside;arjunolic acid-28-O-glucoside;beta-D-glucopyranosyl 2beta,3alpha,23-trihydroxyolean-12-en-28-oate;beta-D-glucopyranosyl-2alpha,3beta,23-trihydroxyolean-12-en-28-oate;2α,3β,23-Trihydroxyolean-12-en-28-oic acid β-D-glucopyranosyl ester;Arjunglucoside II;2,3,23-Trihydroxy-12-oleanen-28-oic acid; (2α,3β)-form, β-D-Galactopyranosyl ester;(+)-Arjunoglucoside II;2,3,23-Trihydroxy-12-oleanen-28-oic acid; (2α,3β)-form, β-D-Glucopyranosyl ester;Arjunoglucoside II;CHEMBL3907306;2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid 28-O-beta-D-glucopynoside;FS-6864;1-O-[2alpha,3beta,23-trihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose;CHEBI:67948;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;2alpha,3beta,23-Trihydroxyolean-12-en-28-oic acid beta-D-glucopyranosyl ester;SCHEMBL21571936;DTXSID901316386;AKOS040761374;Q27136425;CS-0149280;62369-72-6;HY-N8872;(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate;DA-61211;

标识符

InChIKey:
CJHYKSSBQRABTM-XJWBRSAFSA-N
Inchi:
1S/C36H58O10/c1-31(2)11-13-36(30(44)46-29-27(42)26(41)25(40)22(17-37)45-29)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(43)33(4,18-38)23(32)9-10-35(24,34)6/h7,20-29,37-43H,8-18H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,27+,28-,29-,32-,33-,34+,35+,36-/m0/s1
SMILES:
O[C@H]1[C@@H](C[C@@]2(C)[C@H]([C@]1(C)CO)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O)CCC(C)(C)C[C@H]4C3=CC[C@@H]12)O

葡萄糖苷II(62369-72-6)物化性质

实验特性

  • 沸点 : 744.5±60.0 °C at 760 mmHg
  • 蒸气压 : 0.0±5.6 mmHg at 25°C
  • 闪点 : 224.7±26.4 °C
  • 颜色与性状 : Powder
  • 密度 : 1.3±0.1 g/cm3

计算特性

  • 精确分子量 : 650.40299804g/mol
  • 氢键供体数量 : 7
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 5
  • 同位素质量 : 650.40299804g/mol
  • 重原子数量 : 46
  • 复杂度 : 1240
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 15
  • 不确定原子立构中心数量 : 0
  • 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) : 4
  • 拓扑分子极性表面积 : 177Ų

葡萄糖苷II(62369-72-6)相关文献

葡萄糖苷II(62369-72-6)参考资料

Reaxys RN:
PubChem CID: