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b-D-吡喃葡萄糖醛酸,(3b,4b,20a,22b)-22-(a-L-阿拉伯吡喃糖氧基)-20-羧基-23-羟基-30-降冰片烷-12-烯-3-基-6-脱氧-a-L-吡喃甘露糖基-(1;2)-O-b-D-吡喃半乳糖基-(1;2)-(9CI) | 147666-62-4

b-D-吡喃葡萄糖醛酸,(3b,4b,20a,22b)-22-(a-L-阿拉伯吡喃糖氧基)-20-羧基-23-羟基-30-降冰片烷-12-烯-3-基-6-脱氧-a-L-吡喃甘露糖基-(1;2)-O-b-D-吡喃半乳糖基-(1;2)-(9CI)结构式图片|147666-62-4结构式图片
b-D-吡喃葡萄糖醛酸,(3b,4b,20a,22b)-22-(a-L-阿拉伯吡喃糖氧基)-20-羧基-23-羟基-30-降冰片烷-12-烯-3-基-6-脱氧-a-L-吡喃甘露糖基-(1;2)-O-b-D-吡喃半乳糖基-(1;2)-(9CI)
b-D-Glucopyranosiduronic acid, (3b,4b,20a,22b)-22-(a-L-arabinopyranosyloxy)-20-carboxy-23-hydroxy-30-norolean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®2)- (9CI)
147666-62-4
C53H84O24
1105.21966
197563
名称和标识符
InChIKey UZUDYISDRMHJQH-UHFFFAOYSA-N
Inchi InChI=1S/C53H84O24/c1-21-31(57)34(60)39(44(67)70-21)77-45-40(35(61)33(59)25(19-54)71-45)75-41-37(63)36(62)38(42(64)65)76-46(41)73-28-11-12-50(4)26(51(28,5)20-55)10-13-53(7)27(50)9-8-22-23-17-48(2,47(68)69)18-29(49(23,3)14-15-52(22,53)6)72-30-16-24(56)32(58)43(66)74-30/h8,21,23-41,43-46,54-63,66-67H,9-20H2,1-7H3,(H,64,65)(H,68,69)
SMILES OCC1OC(OC2C(O)OC(C)C(O)C2O)C(OC2C(O)C(O)C(C(=O)O)OC2OC2CCC3(C4CC=C5C6CC(C)(C(=O)O)CC(OC7CC(O)C(O)C(O)O7)C6(C)CCC5(C)C4(C)CCC3C2(C)CO)C)C(O)C1O
别名信息
- 中文别名 -
- 英文别名 -
  • 6-[[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-(4,5,6-trihydroxyoxan-2-yl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2
  • b-D-Glucopyranosiduronic acid, (3b,4b,20a,22b)-22-(a-L-arabinopyranosyloxy)-20-carboxy-23-hydr...
  • b-D-Glucopyranosiduronic acid, (3b,4b,20a,22b)-22-(a-L-arabinopyranosyloxy)-20-carboxy-23-hydroxy-30-norolean-12-en-3-ylO-6-d
  • 2)- (9CI)
  • 2)-O-b-D-galactopyranosyl-(1&reg
  • 3-O-alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranosyl oxytrogenin 22-O-alpha-L-arabinopyranoside
  • 6-({11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-[(4,5,6-trihydroxytetrahydro-2H-pyran-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-5-({4,5-dihydroxy-6-(hydroxymethyl)-2-[(2,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-3-yl)ox
  • b-D-Glucopyranosiduronic acid, (3b,4b,20a,22b)-22-(a-L-arabinopyranosyloxy)-20-carboxy-23-hydroxy-30-norolean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1&reg
  • Sophoraflavoside III
  • 6-[[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-(4,5,6-trihydroxyoxan-2-yl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxan-3-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
  • 6-[[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-(4,5,6-trihydroxyoxan-2-yl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxan-3-yl]oxy-3,4-
  • 147666-62-4
  • sophoraflavoside III
物化性质
实验特性
折射率 1.643
密度 1.51
计算特性
精确分子量 1104.535254
氢键供体数量 14
氢键受体数量 24
可旋转化学键数量 12
同位素质量 1104.535254
重原子数量 77
复杂度 2190
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 30
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 391
专业数据库参考
PubChemId 197563
化合物详情(旧版)

SMILES

OCC1C(O)C(O)C(OC2C(OC(C(O)=O)C(O)C2O)OC3C(CO)(C)C4C(CC3)(C)C5C(CC4)(C)C6(C)C(=CC5)C7C(CC6)(C)C(OC8OC(O)C(O)C(O)C8)CC(C(O)=O)(C)C7)C(O1)OC9C(O)C(O)C(C)OC9O

960化工网为您提供b-D-吡喃葡萄糖醛酸,(3b,4b,20a,22b)-22-(a-L-阿拉伯吡喃糖氧基)-20-羧基-23-羟基-30-降冰片烷-12-烯-3-基-6-脱氧-a-L-吡喃甘露糖基-(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.:147666-62-4,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:147666-62-4
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