Chem
J-GLOBAL ID：200907063121991600
Nikkaji number：J1.504.771B
Phenyltris[3-[5-(4-O-β-D-galactopyranosyl-β-D-glucopyranosyloxy)pentylthio]propyl]silane
フェニルトリス[3-[5-(4-O-β-D-ガラクトピラノシル-β-D-グルコピラノシルオキシ)ペンチルチオ]プロピル]シラン
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
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
Molecular formula： C66H116O33S3Si
Molecular formula furigana： C66-H116-O33-S3-SI
Molecular weight： 1561.890
InChI：
InChI=1S/C66H116O33S3Si/c67-30-37-43(73)46(76)52(82)64(91-37)97-58-40(33-70)94-61(55(85)49(58)79)88-18-7-2-10-21-100-24-13-27-103(36-16-5-1-6-17-36,28-14-25-101-22-11-3-8-19-89-62-56(86)50(80)59(41(34-71)95-62)98-65-53(83)47(77)44(74)38(31-68)92-65)29-15-26-102-23-12-4-9-20-90-63-57(87)51(81)60(42(35-72)96-63)99-66-54(84)48(78)45(75)39(32-69)93-66/h1,5-6,16-17,37-87H,2-4,7-15,18-35H2/t37-,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+/m1/s1
InChI key：
ROKGEJHRAYYRFG-IRTHNQSNSA-N
SMILES：
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCCCCSCCC[Si](CCCSCCCCCO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)(CCCSCCCCCO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c3ccccc3)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
Systematic name (3)：
- フェニルトリス[3-[5-(4-O-β-D-ガラクトピラノシル-β-D-グルコピラノシルオキシ)ペンチルチオ]プロピル]シラン
- (2S,3R,4S,5R,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[5-({3-[ビス({3-[(5-{[(2R,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(2S,3R,4S,5R,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}オキサン-2-イル]オキシ}ペンチル)スルファニル]プロピル})(フェニル)シリル]プロピル}スルファニル)ペンチル]オキシ}-4,5-ジヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
- (2S,3R,4S,5R,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[5-({3-[bis({3-[(5-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}pentyl)sulfanyl]propyl})(phenyl)silyl]propyl}sulfanyl)pentyl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
- Phenyltris[3-[5-(4-O-β-D-galactopyranosyl-β-D-glucopyranosyloxy)pentylthio]propyl]silane
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