125516-10-1_b-D-Glucopyranose, cyclic3,6-[(R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]4-[4-hydrogen(2Z)-2-[(3S,4R)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-2-butenedioate]1-(3,4,5-trihydroxybenzoate)CAS号:125516-10-1/b-D-Glucopyranose, cyclic3,6-[(R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]4-[4-hydrogen(2Z)-2-[(3S,4R)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-2-butenedioate]1-(3,4,5-trihydroxybenzoate)中英文名/分子式/结构式

b-D-Glucopyranose, cyclic3,6-[(R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]4-[4-hydrogen(2Z)-2-[(3S,4R)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-2-butenedioate]1-(3,4,5-trihydroxybenzoate)的其他展现形式

相关化合物

b-D-Glucopyranose,cyclic 3®2:6®2'-[(1R)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]4-[4-hydrogen (2Z)-2-[(3S,4R)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-2-butenedioa CAS No.：125445-50-3

名称和标识符

InChIKey	WUTXIOAKRFKQHK-POYCIANOSA-N
Inchi	InChI=1S/C41H30O28/c42-13-1-8(2-14(43)24(13)49)36(59)69-41-31(56)34-32(66-40(63)12(6-19(47)48)23-22-11(5-17(46)27(52)30(22)55)38(61)67-33(23)35(57)58)18(65-41)7-64-37(60)9-3-15(44)25(50)28(53)20(9)21-10(39(62)68-34)4-16(45)26(51)29(21)54/h1-6,18,23,31-34,41-46,49-56H,7H2,(H,47,48)(H,57,58)/b12-6-/t18-,23-,31+,32+,33-,34+,41-/m0/s1
SMILES	OC(/C=C(\C(O[C@H]1[C@H]2[C@@H](O)[C@H](OC(C3=CC(O)=C(O)C(O)=C3)=O)O[C@H]1COC(C1=C(C3=C(O)C(O)=C(O)C=C3C(O2)=O)C(O)=C(O)C(O)=C1)=O)=O)/[C@H]1C2=C(C(O)=C(O)C=C2C(=O)O[C@@H]1C(O)=O)O)=O

别名信息

- 中文别名 -

+展开

- 英文别名 -

b-D-Glucopyranose, cyclic3,6-[(R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]4-[4-hydrogen(2Z)-2-[(3S,4R)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-2-butenedioate]1-(3,4,5-trihydroxybenzoate) b-D-Glucopyranose, cyclic3,6-[(R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate... b-D-Glucopyranose, cyclic3,6-[(R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]4-[4-hydrogen(2Z)-2-[(3S,4R)-3 b-D-Glucopyranose, cyclic3,6-[(R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]4-[4-hydrogen(2Z)-2-[(3S,4R)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-2-butened repandusinic acid A 4-[1-carboxy-3-({1,2,3,11,16,17,18-heptahydroxy-5,14-dioxo-10-[(3,4,5-trihydroxybenzoyl)oxy]-5,7,8,11,12,14-hexahydro-10H-8,12-methanodibenzo[j,l][1,4,8]trioxacyclotetradecin-19-y beta-D-Glucopyranose, cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 4-(4-hydrogen 2-(3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl)-2-butenedioate) 1-(3,4,5-trihydroxybenzoate), stereoisomer

+展开

物化性质

计算特性

精确分子量

970.09200

实验特性

LogP	-0.21040
PSA	478.32000

化合物 125516-10-1 合成路线共 1 条合成路线

125516-10-1

132185-49-0

~16%


60976-49-0

b-D-Glucopyranose, cyclic3,6-[(R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]4-[4-hydrogen(2Z)-2-[(3S,4R)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-2-butenedioate]1-(3,4,5-trihydroxybenzoate) | 125516-10-1