Chem
J-GLOBAL ID：200907015726976705   Nikkaji number：J908.703F

Trigoneoside VI

トリゴネオシドVI
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： C68H110O37
Molecular formula furigana： C68-H110-O37
Molecular weight： 1519.591
InChI： InChI=1S/C68H110O37/c1-23(20-91-59-49(84)45(80)41(76)33(16-69)96-59)8-13-68(90)24(2)38-32(105-68)15-30-28-7-6-26-14-27(9-11-66(26,4)29(28)10-12-67(30,38)5)95-65-58(104-62-51(86)44(79)39(74)25(3)94-62)53(88)55(36(19-72)99-65)102-64-54(89)57(43(78)35(18-71)98-64)103-63-52(87)47(82)56(101-61-48(83)40(75)31(73)21-92-61)37(100-63)22-93-60-50(85)46(81)42(77)34(17-70)97-60/h6,24-25,27-65,69-90H,1,7-22H2,2-5H3/t24-,25-,27-,28+,29-,30-,31+,32-,33+,34+,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47+,48+,49+,50+,51+,52+,53-,54+,55+,56+,57-,58+,59+,60+,61-,62-,63-,64-,65+,66-,67-,68?/m0/s1
InChI key： UHWSVOMBTVDTPD-ZCLRCPLNSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)OC1(O)CCC(=C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-[[2-O-α-L-ラムノピラノシル-4-O-[3-O-(4-O-β-D-キシロピラノシル-6-O-β-D-グルコピラノシル-β-D-グルコピラノシル)-β-D-グルコピラノシル]-β-D-グルコピラノシル]オキシ]-27-(β-D-グルコピラノシルオキシ)フロスタ-5,25-ジエン-22-オール
  • (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[(2S,3R,4S,5R,6R)-3,5-ジヒドロキシ-2-{[(2R,3S,4S,5R,6R)-4-ヒドロキシ-6-{[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-6-ヒドロキシ-7,9,13-トリメチル-6-[3-({[(2R,3R,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}メチル)ブタ-3-エン-1-イル]-5-オキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサ-18-エン-16-イル]オキシ}-2-(ヒドロキシメチル)-5-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}-4,5-ジヒドロキシ-3-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-2-イル]メトキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-{[(2R,3S,4S,5R,6R)-4-hydroxy-6-{[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[3-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy}-2-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxy-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • トリゴネオシドVI
  • Trigoneoside VI
  • 3β-[[2-O-α-L-Rhamnopyranosyl-4-O-[3-O-(4-O-β-D-xylopyranosyl-6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-27-(β-D-glucopyranosyloxy)furosta-5,25-dien-22-ol
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