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9H-黄原-9-酮,2-[2-(3,4-二羟基苯基)-6-b-D-吡喃葡萄糖基-5,7-二羟基-4-氧代-4H-1-苯并吡喃-8-基]-1,4,8-三羟基-6-甲氧基- | 155740-03-7

9H-黄原-9-酮,2-[2-(3,4-二羟基苯基)-6-b-D-吡喃葡萄糖基-5,7-二羟基-4-氧代-4H-1-苯并吡喃-8-基]-1,4,8-三羟基-6-甲氧基-结构式图片|155740-03-7结构式图片
9H-黄原-9-酮,2-[2-(3,4-二羟基苯基)-6-b-D-吡喃葡萄糖基-5,7-二羟基-4-氧代-4H-1-苯并吡喃-8-基]-1,4,8-三羟基-6-甲氧基-
9H-Xanthen-9-one,2-[2-(3,4-dihydroxyphenyl)-6-b-D-glucopyranosyl-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-1,4,8-trihydroxy-6-methoxy-
155740-03-7
C35H28O17
720.58662
5464386
名称和标识符
InChIKey JAANJQNFIJSRTK-KYRPIRIWSA-N
Inchi InChI=1S/C35H28O17/c1-49-11-5-15(39)22-19(6-11)51-33-17(41)7-12(26(42)24(33)29(22)45)21-28(44)25(35-32(48)31(47)27(43)20(9-36)52-35)30(46)23-16(40)8-18(50-34(21)23)10-2-3-13(37)14(38)4-10/h2-8,20,27,31-32,35-39,41-44,46-48H,9H2,1H3/t20-,27-,31+,32-,35+/m1/s1
SMILES COC1=CC(O)=C2C(C3=C(O)C(C4C(O)=C([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(O)=C5C(C=C(OC=45)C4C=CC(O)=C(O)C=4)=O)=CC(O)=C3OC2=C1)=O
别名信息
- 中文别名 -
- 英文别名 -
  • 9H-Xanthen-9-one,2-[2-(3,4-dihydroxyphenyl)-6-b-D-glucopyranosyl-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-1,4,8-trihydroxy-6-methoxy-
  • 2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-8-yl]-1,4,8-trihydroxy-6-methoxyxanthen-9-one
  • (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-8-(1,4,8-trihydroxy-6-methoxy-9-oxo-9H-xanthen-2-yl)-4H-chromen-6-yl]-D-glucitol
  • (1xi)-1-[8-(6-acetyl-1,4,8-trihydroxy-9-oxo-9H-xanthen-2-yl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-1,5-anhydro-D
  • 9H-Xanthen-9-one, 2-(2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl)-1,4,8-trihydroxy-6-methoxy-
  • Swertifrancheside
  • DTXSID00165961
  • 1,5,8-Trihydroxy-3-methoxy-7-(5',7',3'',4''-tetrahydroxy-6'-C-beta-D-glucopyranosyl-4'-oxy-8'-flavyl)xanthone
  • BDBM50412092
  • CHEBI:66537
  • Q27135145
  • 155740-03-7
  • CHEMBL504840
  • 2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-8-yl]-1,4,8-trihydroxy-6-methoxy-xanthen-9-one
  • swertifrancheside
  • 1,5,8-trihydroxy-3-methoxy-7-(5',7',3'',4''-tetrahydroxy-6'-C-beta-D-glucopyranosyl-4'-oxy-8'-flavyl)xanthone
  • 1,5,8-trihydroxy-3-methoxy-7-(5',7',3'',4''-tetrahydroxy-6'-C-beta-D-glucopyranosyl-4'-oxy-8'-flavyl)xanthone
物化性质
计算特性
精确分子量 720.13264942g/mol
氢键供体数量 11
氢键受体数量 17
可旋转化学键数量 5
同位素质量 720.13264942g/mol
重原子数量 52
复杂度 1360
同位素原子数量 0
确定原子立构中心数量 5
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) 2
拓扑分子极性表面积 294Ų
专业数据库参考
PubChemId 5464386
960化工网为您提供9H-黄原-9-酮,2-[2-(3,4-二羟基苯基)-6-b-D-吡喃葡萄糖基-5,7-二羟基-4-氧代-4H-1-苯并吡喃-8-基]-1,4,8-三羟基-6-甲氧基-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.:155740-03-7,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:155740-03-7
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