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Substance Name: Woodfordin C
RN: 126347-63-5
InChIKey: WDXFHUYTXOHJHZ-UHFFFAOYSA-N

Note

  • Macro-ring tannin dimer with anti-tumor activity from Woodfordia fruticosa.

Molecular Formula

  • C75-H52-O48

Molecular Weight

  • 1721.19
 
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Names and Synonyms

Name of Substance

  • Woodfordin C

Synonym

  • Woodfruticosin

Systematic Name

  • 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), cyclic diester with alpha-D-glucopyranose cyclic 4-2':6-2-(4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1,3-bis(3,4,5-trihydroxybenzoate), (2(S),4(S))-

Registry Numbers

CAS Registry Number

  • 126347-63-5

System Generated Number

  • 0126347635

Structure Descriptors

InChI

1S/C75H52O48/c76-13-38-62(119-66(103)16-1-25(77)44(88)26(78)2-16)61-35(87)14-112-69(106)19-7-31(83)47(91)53(97)40(19)43-22(72(109)118-61)12-37(52(96)56(43)100)115-60-24(10-34(86)50(94)58(60)102)74(111)122-65-64(121-67(104)17-3-27(79)45(89)28(80)4-17)63-39(117-75(65)123-68(105)18-5-29(81)46(90)30(82)6-18)15-113-70(107)21-11-36(114-59-23(73(110)116-38)9-33(85)49(93)57(59)101)51(95)55(99)42(21)41-20(71(108)120-63)8-32(84)48(92)54(41)98/h1-13,35,38-39,61-65,75,77-102H,14-15H2

InChIKey

WDXFHUYTXOHJHZ-UHFFFAOYSA-N

Smiles

c12Oc3c(C(O[C@@H]4[C@@H]([C@@H]5OC(c6cc(c(c(c6c6c(c(c(cc6C(OC[C@@H]5O[C@@H]4OC(c4cc(c(O)c(O)c4)O)=O)=O)Oc4c(cc(c(c4O)O)O)C(O[C@@H]([C@@H](OC(c4cc(c(c(c4)O)O)O)=O)[C@@H]4OC(c(c2)c(c(c1O)O)c1c(c(c(cc1C(OC[C@@H]4O)=O)O)O)O)=O)C=O)=O)O)O)O)O)O)=O)OC(c1cc(c(c(O)c1)O)O)=O)=O)cc(c(c3O)O)O