Chem
J-GLOBAL ID:200907003835754706   Nikkaji number:J1.504.770D

Phenyltris[3-[5-[2-O,3-O,6-O-triacetyl-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-β-D-glucopyranosyloxy]pentylthio]propyl]silane

フェニルトリス[3-[5-[2-O,3-O,6-O-トリアセチル-4-O-(2-O,3-O,4-O,6-O-テトラアセチル-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
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: C108H158O54S3Si
Molecular formula furigana: C108-H158-O54-S3-SI
Molecular weight: 2444.660
InChI: InChI=1S/C108H158O54S3Si/c1-57(109)133-51-79-85(139-63(7)115)91(142-66(10)118)100(151-75(19)127)106(157-79)160-88-82(54-136-60(4)112)154-103(97(148-72(16)124)94(88)145-69(13)121)130-39-28-23-31-42-163-45-34-48-166(78-37-26-22-27-38-78,49-35-46-164-43-32-24-29-40-131-104-98(149-73(17)125)95(146-70(14)122)89(83(155-104)55-137-61(5)113)161-107-101(152-76(20)128)92(143-67(11)119)86(140-64(8)116)80(158-107)52-134-58(2)110)50-36-47-165-44-33-25-30-41-132-105-99(150-74(18)126)96(147-71(15)123)90(84(156-105)56-138-62(6)114)162-108-102(153-77(21)129)93(144-68(12)120)87(141-65(9)117)81(159-108)53-135-59(3)111/h22,26-27,37-38,79-108H,23-25,28-36,39-56H2,1-21H3/t79-,80-,81-,82-,83-,84-,85+,86+,87+,88-,89-,90-,91+,92+,93+,94+,95+,96+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106+,107+,108+/m1/s1
InChI key: PYLYHZKUNWJBIH-ARABEXRJSA-N
SMILES: CC(=O)OC[C@H]1O[C@@H](OCCCCCSCCC[Si](CCCSCCCCCO[C@@H]2O[C@H](COC(=O)C)[C@@H](O[C@@H]3O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)(CCCSCCCCCO[C@@H]2O[C@H](COC(=O)C)[C@@H](O[C@@H]3O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)c2ccccc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@@H]1O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C
Systematic name  (3):
  • フェニルトリス[3-[5-[2-O,3-O,6-O-トリアセチル-4-O-(2-O,3-O,4-O,6-O-テトラアセチル-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
  • [(2R,3R,4S,5R,6R)-4,5-ビス(アセチルオキシ)-6-{[5-({3-[ビス({3-[(5-{[(2R,3R,4S,5R,6R)-3,4-ビス(アセチルオキシ)-6-[(アセチルオキシ)メチル]-5-{[(2S,3R,4S,5S,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)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}-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]オキシ}オキサン-2-イル]メチル アセタート
  • [(2R,3R,4S,5R,6R)-4,5-bis(acetyloxy)-6-{[5-({3-[bis({3-[(5-{[(2R,3R,4S,5R,6R)-3,4-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-{[(2S,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}pentyl)sulfanyl]propyl})(phenyl)silyl]propyl}sulfanyl)pentyl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate
Other name (1):
  • Phenyltris[3-[5-[2-O,3-O,6-O-triacetyl-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-β-D-glucopyranosyloxy]pentylthio]propyl]silane
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