Chem
J-GLOBAL ID:200907008899977298   Nikkaji number:J687.535A

Protogracillin

プロトグラシリン
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: C51H84O23
Molecular formula furigana: C51-H84-O23
Molecular weight: 1065.210
InChI: InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,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-/m1/s1
InChI key: GMCGZPQYTRHQRU-DKWQWWTLSA-N
SMILES: C[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (4):
  • [(25R)-22α-ヒドロキシ-26-(β-D-グルコピラノシルオキシ)フロスタ-5-エン-3β-イル]2-O-α-L-ラムノピラノシル-3-O-β-D-グルコピラノシル-β-D-グルコピラノシド
  • (22R,25R)-3β-[2-O-(α-L-ラムノピラノシル)-3-O-(β-D-グルコピラノシル)-β-D-グルコピラノシルオキシ]-16β,22-エポキシ-22-ヒドロキシ-26-(β-D-グルコピラノシルオキシ)コレスタ-5-エン
  • (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5R,6R)-3-ヒドロキシ-6-{[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-ヒドロキシ-7,9,13-トリメチル-6-[(3R)-3-メチル-4-{[(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}ブチル]-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-4-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,5S,6R)-2-{[(2R,3R,4S,5R,6R)-3-hydroxy-6-{[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-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-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (4):
  • プロトグラシリン
  • Protogracillin
  • [(25R)-22α-Hydroxy-26-(β-D-glucopyranosyloxy)furost-5-en-3β-yl]2-O-α-L-rhamnopyranosyl-3-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • (22R,25R)-3β-[2-O-(α-L-Rhamnopyranosyl)-3-O-(β-D-glucopyranosyl)-β-D-glucopyranosyloxy]-16β,22-epoxy-22-hydroxy-26-(β-D-glucopyranosyloxy)cholesta-5-ene
CAS registry number: 54848-30-5
KEGG COMPOUND: C08908
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