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 β-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] 1,3-bis(3,4,5-trihydroxybenzoate)

CAS Registry Number®

189302-95-2

CAS Name

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 β-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] 1,3-bis(3,4,5-trihydroxybenzoate)

Molecular Formula

C75H52O48

Molecular Mass

1721.19

Cite this Page

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 β-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] 1,3-bis(3,4,5-trihydroxybenzoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=189302-95-2 (retrieved 2024-11-25) (CAS RN: 189302-95-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=WDXFHUYTXOHJHZ-UHFFFAOYSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)C2C3C(OC(=O)C4=CC(O)=C(O)C(O)=C4)OC5C2OC(=O)C=6C(C=7C(C(=O)OC5)=CC(=C(O)C7O)OC=8C(C(=O)OC(C=O)C(OC(=O)C9=CC(O)=C(O)C(O)=C9)C%10OC(=O)C%11=CC(OC=%12C(C(=O)O3)=CC(O)=C(O)C%12O)=C(O)C(O)=C%11C=%13C(=CC(O)=C(O)C%13O)C(=O)OCC%10O)=CC(O)=C(O)C8O)=C(O)C(O)=C(O)C6

Canonical SMILES

O=CC1OC(=O)C2=CC(O)=C(O)C(O)=C2OC=3C=C4C(=O)OCC5OC(OC(=O)C6=CC(O)=C(O)C(O)=C6)C(OC(=O)C7=CC(O)=C(O)C(O)=C7OC=8C=C9C(=O)OC(C(O)COC(=O)C%10=CC(O)=C(O)C(O)=C%10C9=C(O)C8O)C1OC(=O)C%11=CC(O)=C(O)C(O)=C%11)C(OC(=O)C%12=CC(O)=C(O)C(O)=C%12)C5OC(=O)C%13=CC(O)=C(O)C(O)=C%13C4=C(O)C3O

Other Names for this Substance

  • 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 β-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] 1,3-bis(3,4,5-trihydroxybenzoate)
  • D-Glucose, cyclic 4→2:6→2′-[(S)-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 β-D-glucopyranose cyclic 4→2′:6→2-[(S)-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)
  • Eugeniflorin D1

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