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b-D-吡喃葡萄糖醛酸,(3b,6b,16a)-28-(乙酰氧基)-6,16-二羟基齐墩果-12-烯-3-基O-6-脱氧-a-L-吡喃甘露糖基-(1-2)-O-b-D-吡喃葡萄糖基-(1-2)-O-b-D-吡喃半乳糖基-(1-2)-(9CI) | 153288-84-7

b-D-吡喃葡萄糖醛酸,(3b,6b,16a)-28-(乙酰氧基)-6,16-二羟基齐墩果-12-烯-3-基O-6-脱氧-a-L-吡喃甘露糖基-(1-2)-O-b-D-吡喃葡萄糖基-(1-2)-O-b-D-吡喃半乳糖基-(1-2)-(9CI)结构式图片|153288-84-7结构式图片
b-D-吡喃葡萄糖醛酸,(3b,6b,16a)-28-(乙酰氧基)-6,16-二羟基齐墩果-12-烯-3-基O-6-脱氧-a-L-吡喃甘露糖基-(1-2)-O-b-D-吡喃葡萄糖基-(1-2)-O-b-D-吡喃半乳糖基-(1-2)-(9CI)
b-D-Glucopyranosiduronic acid, (3b,6b,16a)-28-(acetyloxy)-6,16-dihydroxyolean-12-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-b-D-glucopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®2)- (9CI)
153288-84-7
C56H90O25
1163.2988
44151714
名称和标识符
InChIKey UTSJMDCMTNWPES-XKWSIZEHSA-N
Inchi InChI=1S/C56H90O25/c1-22-32(62)35(65)38(68)47(74-22)78-42-41(71)43(79-50(81-49-40(70)37(67)34(64)28(20-58)76-49)44(42)80-48-39(69)36(66)33(63)27(19-57)75-48)46(72)77-31-12-13-53(7)29-11-10-24-25-16-51(3,4)14-15-56(25,21-73-23(2)59)30(61)18-54(24,8)55(29,9)17-26(60)45(53)52(31,5)6/h10,22,25-45,47-50,57-58,60-71H,11-21H2,1-9H3/t22-,25+,26-,27+,28+,29?,30-,31?,32-,33+,34-,35+,36-,37-,38+,39+,40+,41-,42-,43-,44+,45?,47-,48+,49+,50+,53+,54+,55+,56+/m0/s1
SMILES CC(OC[C@@]12[C@@H](O)C[C@]3([C@@]4(C[C@H](O)C5C(C(CC[C@]5(C)C4CC=C3[C@H]1CC(CC2)(C)C)OC([C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H]1O)=O)(C)C)C)C)=O
别名信息
- 中文别名 -
- 英文别名 -
  • [(5S,6aR,6bS,8S,8aS,12aR,14bR)-8a-(acetyloxymethyl)-5,8-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] (2S,3S,4S,5R,6R)-3-hydroxy-5-[(2R,3R,4S,
  • b-D-Glucopyranosiduronic acid, (3b,6b,16a)-28-(acetyloxy)-6,16-dihydroxyolean-12-en-3-yl O-6-d...
  • (3beta,6beta,16alpha)-28-(Acetyloxy)-6,16-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-2)-beta-D-Glucopyranosiduronic acid
  • 2)- (9CI)
  • 2)-O-b-D-galactopyranosyl-(1&reg
  • 2)-O-b-D-glucopyranosyl-(1&reg
  • 3beta-O-(alpha-L-Rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranosyl)-6beta,16alpha-dihydroxyolean-12-en-28-acetate
  • b-D-Glucopyranosiduronic acid, (3b,6b,16a)-28-(acetyloxy)-6,16-dihydroxyolean-12-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1&reg
  • Macrophyllicinin
  • 153288-84-7
  • beta-D-Glucopyranosiduronic acid, (3beta,6beta,16alpha)-28-(acetyloxy)-6,16-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-2)-
  • macrophyllicinin
物化性质
计算特性
精确分子量 1162.577
氢键供体数量 14
氢键受体数量 25
可旋转化学键数量 14
同位素质量 1162.577
重原子数量 81
复杂度 2290
同位素原子数量 0
确定原子立构中心数量 27
不确定原子立构中心数量 3
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) -0.2
拓扑分子极性表面积 400A^2
专业数据库参考
PubChemId 44151714
化合物详情(旧版)

SMILES

CC(=O)OC[C@]12[C@H](CC(C)(C)CC2)C3[C@](C[C@@H]1O)(C)[C@@]4(C)C(CC=3)[C@]5(C)C([C@@H](O)C4)C(C)(C)C(OC(=O)[C@@H]6[C@@H](O)[C@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](O[C@@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)[C@@H](O[C@@H]9[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O9)O6)CC5

960化工网为您提供b-D-吡喃葡萄糖醛酸,(3b,6b,16a)-28-(乙酰氧基)-6,16-二羟基齐墩果-12-烯-3-基O-6-脱氧-a-L-吡喃甘露糖基-(1-2)-O-b-D-吡喃葡萄糖基-(1-2)-O-b-D-吡喃半乳糖基-(1-2)-(9CI)专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:153288-84-7,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:153288-84-7
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