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Substance Name: Woodfordin A
RN: 127243-65-6
InChIKey: HUDRVRFMJDNTKX-GBDOURBHSA-N

Molecular Formula

  • C75-H56-O48

Molecular Weight

  • 1725.2194
 
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Names and Synonyms

Results Name

  • Woodfordin A

Synonym

  • Woodfordin A

Systematic Name

  • beta-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) 1,2,3-tris(3,4,5-trihydroxybenzoate), 2-ester with beta-D-glucopyranose 1,3,6-tris(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 127243-65-6

System Generated Number

  • 0127243656

Structure Descriptors

InChI

1S/C75H56O48/c76-27-1-18(2-28(77)46(27)90)65(103)112-16-42-55(99)61(118-66(104)19-3-29(78)47(91)30(79)4-19)63(74(115-42)122-69(107)22-9-35(84)50(94)36(85)10-22)121-73(111)26-14-40(89)53(97)58(102)59(26)114-41-15-25-45(57(101)54(41)98)44-24(13-39(88)52(96)56(44)100)72(110)117-60-43(17-113-71(25)109)116-75(123-70(108)23-11-37(86)51(95)38(87)12-23)64(120-68(106)21-7-33(82)49(93)34(83)8-21)62(60)119-67(105)20-5-31(80)48(92)32(81)6-20/h1-15,42-43,55,60-64,74-102H,16-17H2/t42-,43-,55-,60-,61+,62+,63-,64-,74+,75+/m1/s1

InChIKey

HUDRVRFMJDNTKX-GBDOURBHSA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4Oc5cc6c(c(c5O)O)-c7c(cc(c(c7O)O)O)C(=O)O[C@@H]8[C@@H](COC6=O)O[C@H]([C@@H]([C@H]8OC(=O)c9cc(c(c(c9)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O