名称和标识符别名信息物化性质专业数据库参考相关产品

木鞣质C | 108906-53-2

中文名称：木鞣质C

英文名称： D-Glucose, cyclic 4®2':6®2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]3-(3,4,5-trihydroxybenzoate), 2-ester with D-glucose cyclic 4®2':6®2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]2,3-bis(3,4,5-trihydroxybenzoate), 2'-ester with D-glucose cyclic4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2

CAS No.： 108906-53-2

分子式： C₁₀₂H₇₄O₆₅

分子量： 2339.63996

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：木鞣质C结构式

PubChem CID： 16132407

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木鞣质C的其他展现形式

相关化合物

b-D-Glucopyranose,1,2,3-tris(3,4,5-trihydroxybenzoate), cyclic 4&reg

b-D-Glucopyranose,1,2,3-tris(3,4,5-trihydroxybenzoate), cyclic 4®1:6®6'-ester with9-(6-carboxy-2,3,4-trihydroxyphenoxy)-3,4,8,10-tetrahydroxy-6-oxo-6H-dibenzo[b,d]pyran-1-carboxylicacid (9CI)

CAS No.：124854-12-2
[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,1-(b-D-glucopyranosyloxy)-2,6,7-trimethoxy-(9CI)

CAS No.：114942-09-5
D-Glucose, cyclic 4®2':6®2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]3-(3,4,5-trihydroxybenzoate), cyclic diester with b-D-glucopyranose cyclic 4®2:6®2'-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]2,3-bis(3,4,5-trihydroxybenzoate) (9CI)

CAS No.：126347-60-2
b-D-Glucopyranose, cyclic 2®2',3®2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]cyclic 4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]1-(3,4,5-trihydroxybenzoate), 4-ester with b-D-glucopyranose cyclic 2®2',3®2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]1,6-bis(3,4,5-trihydroxybe

CAS No.：113900-94-0
b-D-Glucopyranose, cyclic4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]1-[3-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5-dihydroxybenzoate] 2,3-bis(3,4,5-trihydroxybenzoate)(9CI)

CAS No.：106339-49-5
D-Glucose,4-[(2S)-2-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1-yl)-3,4,5-trihydroxybenzoate]6-(3,4,5-trihydroxybenzoate) (9CI)

CAS No.：103744-86-1

名称和标识符

InChIKey	DKWBPKQHAPBPBK-UHFFFAOYSA-N
Inchi	InChI=1S/C102H74O65/c103-33-1-21(2-34(104)59(33)117)88(136)162-82-79-51(156-100(148)85(82)165-91(139)24-7-39(109)62(120)40(110)8-24)19-152-94(142)30-16-48(69(127)75(133)57(30)55-28(97(145)159-79)13-44(114)66(124)73(55)131)154-47-10-25(9-41(111)63(47)121)92(140)166-86-83(163-89(137)22-3-35(105)60(118)36(106)4-22)80-52(157-101(86)149)20-153-95(143)31-17-49(70(128)76(134)58(31)56-29(98(146)160-80)14-45(115)67(125)74(56)132)155-78-32(15-46(116)68(126)77(78)135)99(147)167-87-84(164-90(138)23-5-37(107)61(119)38(108)6-23)81-50(158-102(87)150)18-151-93(141)26-11-42(112)64(122)71(129)53(26)54-27(96(144)161-81)12-43(113)65(123)72(54)130/h1-17,50-52,79-87,100-135,148-150H,18-20H2
SMILES	OC1C(O)=C(O)C=C(C(OC2C(O)OC3COC(C4=CC(OC5=CC(C(OC6C(O)OC7COC(C8=CC(OC9=C(O)C(O)=C(O)C=C9C(OC9C(O)OC%10COC(C%11=CC(O)=C(O)C(O)=C%11C%11=C(O)C(O)=C(O)C=C%11C(OC%10C9OC(C9=CC(O)=C(O)C(O)=C9)=O)=O)=O)=O)=C(O)C(O)=C8C8=C(O)C(O)=C(O)C=C8C(OC7C6OC(C6=CC(O)=C(O)C(O)=C6)=O)=O)=O)=O)=CC(O)=C5O)=C(O)C(O)=C4C4=C(O)C(O)=C(O)C=C4C(OC3C2OC(C2=CC(O)=C(O)C(O)=C2)=O)=O)=O)=O)C=1

别名信息

- 中文别名 -

木鞣质C

- 英文别名 -

D-Glucose, cyclic 4&reg
2':6&reg
2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-
2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]2,3-bis(3,4,5-trihydroxybenzoate), 2'-ester with D-glucose cyclic4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2
2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]3-(3,4,5-trihydroxybenzoate), 2-ester with D-glucose cyclic 4&reg

Cornusiin C
D-Glucose, cyclic 4-2':6-2-(4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate)-3-(3,4,5-trihydroxybenzoate), 2-ester with D-glucose cyclic 4-2':(4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboylate) 2,3-bis(3,4,5-trihydroxybenzoate), 2'-ester with D-glucose cyclic 4,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 3-(
108906-53-2
cornusiin C

物化性质

实验特性

PSA	1090.03

计算特性

精确分子量	2338.24792
氢键供体数量	36
氢键受体数量	65
可旋转化学键数量	22
同位素质量	2338.2485026g/mol
重原子数量	167
复杂度	5370
同位素原子数量	0
确定原子立构中心数量	11
不确定原子立构中心数量	4
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）	2.8
互变异构体数量	746
表面电荷	0
拓扑分子极性表面积	1090Å²

专业数据库参考

PubChemId	16132407

木鞣质C | 108906-53-2

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