Chem
J-GLOBAL ID：200907050825722006   Nikkaji number：J1.176.377D

2′-(α-D-Mannopyranosyloxy)-2′′′-(β-D-mannopyranosyloxy)[5′,5′′′-(1,6-hexanediyl)bis(1,1′-biphenyl-3-acetic acid)]

2′-(α-D-マンノピラノシルオキシ)-2′′′-(β-D-マンノピラノシルオキシ)[5′,5′′′-(1,6-ヘキサンジイル)ビス(1,1′-ビフェニル-3-酢酸)]
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C46H54O16
Molecular formula furigana： C46-H54-O16
Molecular weight： 862.922
InChI： InChI=1S/C46H54O16/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41+,42+,43+,44+,45-,46+/m1/s1
InChI key： RYWCQJDEHXJHRI-VMIYFACSSA-N
SMILES： OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(c3)c3cccc(CC(=O)O)c3)cc2c2cccc(CC(=O)O)c2)[C@@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 2′-(α-D-マンノピラノシルオキシ)-2′′′-(β-D-マンノピラノシルオキシ)[5′,5′′′-(1,6-ヘキサンジイル)ビス(1,1′-ビフェニル-3-酢酸)]
  • 2-(5'-{6-[3'-(カルボキシメチル)-6-{[(2R,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-[1,1'-ビフェニル]-3-イル]ヘキシル}-2'-{[(2S,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-[1,1'-ビフェニル]-3-イル)酢酸
  • 2-(5'-{6-[3'-(carboxymethyl)-6-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl]hexyl}-2'-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl)acetic acid
Other name (1)：
  • 2′-(α-D-Mannopyranosyloxy)-2′′′-(β-D-mannopyranosyloxy)[5′,5′′′-(1,6-hexanediyl)bis(1,1′-biphenyl-3-acetic acid)]
Thsaurus map：
Thesaurus Map

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