11137-63-6

（9-[2-羧基-4-羟基-10-氧代-5-[（2S，3R，4S，5R，6R）-3,4,5-三羟基-6-（羟甲基）氧代-2-基]氧-9H-蒽-9-基]-5-[（2S，3R，4S，5R，6R）-4,5-二羟基-6-（羟甲基）-3-氧代-氧代-2-基]氧-4-羟基-10-氧代-9H-蒽-2-羧酸,9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxalooxy-oxan-2-yl]oxy-4-hydroxy-10-oxo-9H-anthracene-2-carboxylic acid）

中文名称： 9-[2-羧基-4-羟基-10-氧代-5-[（2S，3R，4S，5R，6R）-3,4,5-三羟基-6-（羟甲基）氧代-2-基]氧-9H-蒽-9-基]-5-[（2S，3R，4S，5R，6R）-4,5-二羟基-6-（羟甲基）-3-氧代-氧代-2-基]氧-4-羟基-10-氧代-9H-蒽-2-羧酸

英文名称： 9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxalooxy-oxan-2-yl]oxy-4-hydroxy-10-oxo-9H-anthracene-2-carboxylic acid

CAS No.： 11137-63-6

分子式： C₄₄H₃₈O₂₃

分子量： 934.758720000001

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：9-[2-羧基-4-羟基-10-氧代-5-[（2S，3R，4S，5R，6R）-3,4,5-三羟基-6-（羟甲基）氧代-2-基]氧-9H-蒽-9-基]-5-[（2S，3R，4S，5R，6R）-4,5-二羟基-6-（羟甲基）-3-氧代-氧代-2-基]氧-4-羟基-10-氧代-9H-蒽-2-羧酸结构式

下载该化合物MOL文件： 9-[2-羧基-4-羟基-10-氧代-5-[（2S，3R，4S，5R，6R）-3,4,5-三羟基-6-（羟甲基）氧代-2-基]氧-9H-蒽-9-基]-5-[（2S，3R，4S，5R，6R）-4,5-二羟基-6-（羟甲基）-3-氧代-氧代-2-基]氧-4-羟基-10-氧代-9H-蒽-2-羧酸MOL

PubChem CID： 3082019

快速询单

9-[2-羧基-4-羟基-10-氧代-5-[（2S，3R，4S，5R，6R）-3,4,5-三羟基-6-（羟甲基）氧代-2-基]氧-9H-蒽-9-基]-5-[（2S，3R，4S，5R，6R）-4,5-二羟基-6-（羟甲基）-3-氧代-氧代-2-基]氧-4-羟基-10-氧代-9H-蒽-2-羧酸的其他展现形式

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名称和标识符

InChIKey	WCXZMEMQOKTKSI-UHFFFAOYSA-N
Inchi	InChI=1S/C44H38O23/c45-11-23-31(49)35(53)37(55)43(65-23)63-21-5-1-3-15-25(17-7-13(39(56)57)9-19(47)27(17)33(51)29(15)21)26-16-4-2-6-22(30(16)34(52)28-18(26)8-14(40(58)59)10-20(28)48)64-44-38(67-42(62)41(60)61)36(54)32(50)24(12-46)66-44/h1-10,23-26,31-32,35-38,43-50,53-55H,11-12H2,(H,56,57)(H,58,59)(H,60,61)
SMILES	C(C1C=C(O)C2=C(C(C3C4=C(C(O)=CC(C(O)=O)=C4)C(=O)C4C3=CC=CC=4OC3C(OC(C(O)=O)=O)C(O)C(O)C(CO)O3)C3C(C2=O)=C(OC2C(O)C(O)C(O)C(CO)O2)C=CC=3)C=1)(O)=O

别名信息

- 中文别名 -

- 英文别名 -

9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxalooxy-oxan-2-yl]oxy-4-hydroxy-10-oxo-9H-anthracene-2-carboxylic acid
9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-5-[(2S,3
9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxalooxy-oxan-2-yl]oxy-4-hydr
sennoside E
(9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5-((O-(carboxycarbonyl)-beta-D-glucopyranosyl)oxy)-5'-(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (R*,R*)-

5-{[2-O-(carboxycarbonyl)-beta-D-glucopyranosyl]oxy}-5'-(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid
Sennoside F
9-[2-carboxy-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxalooxyoxan-2-yl]oxy-4-hydroxy-10-oxo-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
11137-63-6

物化性质

计算特性

精确分子量	934.18038746g/mol
氢键供体数量	12
氢键受体数量	23
可旋转化学键数量	12
同位素质量	934.18038746g/mol
重原子数量	67
复杂度	1880
同位素原子数量	0
确定原子立构中心数量	10
不确定原子立构中心数量	2
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）	1.7
拓扑分子极性表面积	391Å²