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齐墩果酸-12-en-28-oicacid,3-[(O-6-脱氧-a-L-吡喃甘露糖基-(1;2)-O-[b-D-吡喃葡萄糖基-(1;3)]-a-L-阿拉伯吡喃糖基)氧基]-23-羟基-,O-6-脱氧-a-L-吡喃甘露糖基-(1;4)-O-b-D-吡喃葡萄糖基-(1;6)-b-D-吡喃葡萄糖基酯,(3b,4a)- | 121449-76-1

齐墩果酸-12-en-28-oicacid,3-[(O-6-脱氧-a-L-吡喃甘露糖基-(1;2)-O-[b-D-吡喃葡萄糖基-(1;3)]-a-L-阿拉伯吡喃糖基)氧基]-23-羟基-,O-6-脱氧-a-L-吡喃甘露糖基-(1;4)-O-b-D-吡喃葡萄糖基-(1;6)-b-D-吡喃葡萄糖基酯,(3b,4a)-结构式图片|121449-76-1结构式图片
齐墩果酸-12-en-28-oicacid,3-[(O-6-脱氧-a-L-吡喃甘露糖基-(1;2)-O-[b-D-吡喃葡萄糖基-(1;3)]-a-L-阿拉伯吡喃糖基)氧基]-23-羟基-,O-6-脱氧-a-L-吡喃甘露糖基-(1;4)-O-b-D-吡喃葡萄糖基-(1;6)-b-D-吡喃葡萄糖基酯,(3b,4a)-
Olean-12-en-28-oicacid, 3-[(O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[b-D-glucopyranosyl-(1®3)]-a-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b,4a)-
121449-76-1
C65H106O31
1383.51854
195332
名称和标识符
InChIKey SDOYPCMINZZTMA-UHFFFAOYSA-N
Inchi InChI=1S/C65H106O31/c1-25-36(70)41(75)45(79)54(87-25)93-50-31(21-67)90-53(48(82)44(50)78)86-23-32-40(74)43(77)47(81)56(91-32)96-59(84)65-17-15-60(3,4)19-28(65)27-9-10-34-61(5)13-12-35(62(6,24-68)33(61)11-14-64(34,8)63(27,7)16-18-65)92-58-52(38(72)29(69)22-85-58)95-57-49(83)51(37(71)26(2)88-57)94-55-46(80)42(76)39(73)30(20-66)89-55/h9,25-26,28-58,66-83H,10-24H2,1-8H3
SMILES OCC1OC(OC2C(O)C(C)OC(OC3C(O)C(O)COC3OC3CCC4(C5CC=C6C7CC(C)(C)CCC7(CCC6(C)C5(C)CCC4C3(C)CO)C(OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)=O)C)C2O)C(O)C(O)C1O
别名信息
- 中文别名 -
- 英文别名 -
  • kalopanax saponin C
  • 3)]-a-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-a-L-mannopyranosyl-(1&reg
  • 3-O-(alpha-Rhamnopyranosyl-(1-2)-alpha-arabinopyranosyl)hedragenin-28-(alpha-rhamnopyranosyl-(1-2)-beta-glucopyranosyl-(1-6)-beta-glucopyranosyl)ester
  • 4)-O-b-D-glucopyranosyl-(
  • 4)-O-b-D-glucopyranosyl-(1&reg
  • 6)-b-D-glucopyranosyl ester, (3b,4a)-
  • 6-deoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-
  • Olean-12-en-28-oic acid, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-.beta
  • Kalopanax saponin C
  • 121449-76-1
  • CHEMBL1910841
  • 3-O-beta-D-glucopyranosyl-(1->3)-[alpha-L-rhamnopyranosyl-(1->2)]-alpha-L-arabinopyranosylhederagenin-28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester
  • Kalopanaxsaponin C
  • DTXSID601315965
  • 6-deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-[(3beta)-3-{[6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-alpha-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose
  • Q27137711
  • CHEBI:69372
物化性质
实验特性
PSA 491.97
计算特性
精确分子量 1382.67188
氢键供体数量 18
氢键受体数量 31
可旋转化学键数量 17
同位素质量 1382.6718066g/mol
重原子数量 96
复杂度 2700
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 38
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) -3.5
拓扑分子极性表面积 492Ų
专业数据库参考
PubChemId 195332
齐墩果酸-12-en-28-oicacid,3-[(O-6-脱氧-a-L-吡喃甘露糖基-(1;2)-O-[b-D-吡喃葡萄糖基-(1;3)]-a-L-阿拉伯吡喃糖基)氧基]-23-羟基-,O-6-脱氧-a-L-吡喃甘露糖基-(1;4)-O-b-D-吡喃葡萄糖基-(1;6)-b-D-吡喃葡萄糖基酯,(3b,4a)-推荐生产厂家
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