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b-D-吡喃葡萄糖苷,(3b,22a,25R)-螺旋体-5-烯-3-基O-b-D-吡喃木糖基-(1-3)-O-[O-b-D-吡喃木糖基-(1-4)-6-脱氧-a-L-吡喃甘露糖基-(1-4)]-(9CI) | 128585-03-5

b-D-吡喃葡萄糖苷,(3b,22a,25R)-螺旋体-5-烯-3-基O-b-D-吡喃木糖基-(1-3)-O-[O-b-D-吡喃木糖基-(1-4)-6-脱氧-a-L-吡喃甘露糖基-(1-4)]-(9CI)结构式图片|128585-03-5结构式图片
b-D-吡喃葡萄糖苷,(3b,22a,25R)-螺旋体-5-烯-3-基O-b-D-吡喃木糖基-(1-3)-O-[O-b-D-吡喃木糖基-(1-4)-6-脱氧-a-L-吡喃甘露糖基-(1-4)]-(9CI)
b-D-Glucopyranoside, (3b,22a,25R)-spirosol-5-en-3-yl O-b-D-xylopyranosyl-(1®3)-O-[O-b-D-xylopyranosyl-(1®4)-6-deoxy-a-L-mannopyranosyl-(1®4)]- (9CI)
128585-03-5
C49H79NO19
986.146860000001
159581
名称和标识符
InChIKey JUIQDBJRSFBVFU-UHFFFAOYSA-N
Inchi InChI=1S/C49H79NO19/c1-20-8-13-49(50-16-20)21(2)32-30(69-49)15-27-25-7-6-23-14-24(9-11-47(23,4)26(25)10-12-48(27,32)5)64-46-39(60)42(68-44-37(58)34(55)29(53)19-62-44)41(31(17-51)65-46)67-45-38(59)35(56)40(22(3)63-45)66-43-36(57)33(54)28(52)18-61-43/h6,20-22,24-46,50-60H,7-19H2,1-5H3
SMILES OC1COC(OC2C(C)OC(OC3C(CO)OC(OC4CCC5(C6CCC7(C8C(C)C9(CCC(C)CN9)OC8CC7C6CC=C5C4)C)C)C(O)C3OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O
别名信息
- 中文别名 -
- 英文别名 -
  • b-D-Glucopyranoside, (3b,22a,25R)-spirosol-5-en-3-yl O-b-D-xylopyranosyl-(1&reg
  • Incanumine
  • (3beta,22alpha,25R)-Spirosol-5-en-3-yl O-beta-D-xylopyranosyl-(1-3)-O-(O-beta-D-xylopyranosyl-(1-4)-6-deoxy-L-mannopyranosyl-(1-4))-beta-D-glucopyranoside
  • 4)]- (9CI)
  • 4)-6-deoxy-a-L-mannopyranosyl-(1&reg
  • beta-D-Glucopyranoside, (3beta,22alpha,25R)-spirosol-5-en-3-yl O-beta-D-xylopyranosyl-(1-3)-O-(O-beta-D-xylopyranosyl-(1-4)-6-deoxy-alpha-L-man
  • O(3)-(beta-Xylopyranosyl-(1-3(glu))-(beta-xylopyranosyl-(1-4)-alpha-rhamnopyranosyl-(1-4(glu)))-beta-glucopyranosyl)-solasodine
  • 2-[4,5-dihydroxy-6-[5-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxyoxane-3,4,5-triol
  • spirosol-5-en-3-yl pentopyranosyl-(1->3)-[pentopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->4)]hexopyranoside
  • beta-D-Glucopyranoside, (3beta,22alpha,25R)-spirosol-5-en-3-yl O-beta-D-xylopyranosyl-(1-3)-O-(O-beta-D-xylopyranosyl-(1-4)-6-deoxy-alpha-L-mannopyranosyl-(1-4))-
  • 128585-03-5
  • DTXSID30926168
  • incanumine
物化性质
实验特性
PSA 297.4
计算特性
精确分子量 985.52477
氢键供体数量 11
氢键受体数量 20
可旋转化学键数量 9
同位素质量 985.52462929g/mol
重原子数量 69
复杂度 1830
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 29
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) -0.9
互变异构体数量
表面电荷 0
拓扑分子极性表面积 297Ų
专业数据库参考
PubChemId 159581
b-D-吡喃葡萄糖苷,(3b,22a,25R)-螺旋体-5-烯-3-基O-b-D-吡喃木糖基-(1-3)-O-[O-b-D-吡喃木糖基-(1-4)-6-脱氧-a-L-吡喃甘露糖基-(1-4)]-(9CI)推荐生产厂家
960化工网为您提供b-D-吡喃葡萄糖苷,(3b,22a,25R)-螺旋体-5-烯-3-基O-b-D-吡喃木糖基-(1-3)-O-[O-b-D-吡喃木糖基-(1-4)-6-脱氧-a-L-吡喃甘露糖基-(1-4)]-(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.:128585-03-5,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:128585-03-5
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