Chem
J-GLOBAL ID:200907027342694298
Nikkaji number:J2.410.476A
4-Methyl-2-oxo-2H-1-benzopyran-7-yl 2-(acetylamino)-4-O-[2-(acetylamino)-4-O-(2-amino-2-deoxy-β-D-glucopyranosyl)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranoside
4-メチル-2-オキソ-2H-1-ベンゾピラン-7-イル2-(アセチルアミノ)-4-O-[2-(アセチルアミノ)-4-O-(2-アミノ-2-デオキシ-β-D-グルコピラノシル)-2-デオキシ-β-D-グルコピラノシル]-2-デオキシ-β-D-グルコピラノシド
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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:
C32 H45 N3 O17
Molecular formula furigana:
C32-H45-N3-O17
Molecular weight:
743.716
InChI:
InChI=1S/C32H45N3O17/c1-11-6-20(41)47-16-7-14(4-5-15(11)16)46-31-22(34-12(2)39)26(44)29(19(10-38)49-31)52-32-23(35-13(3)40)27(45)28(18(9-37)50-32)51-30-21(33)25(43)24(42)17(8-36)48-30/h4-7,17-19,21-32,36-38,42-45H,8-10,33H2,1-3H3,(H,34,39)(H,35,40)/t17-,18-,19-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+,31-,32+/m1/s1
InChI key:
NHOVCPLVZHMFKU-PXWHNRKTSA-N
SMILES:
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](NC(=O)C)[C@H]1O
Systematic name (3):
4-メチル-2-オキソ-2H-1-ベンゾピラン-7-イル2-(アセチルアミノ)-4-O-[2-(アセチルアミノ)-4-O-(2-アミノ-2-デオキシ-β-D-グルコピラノシル)-2-デオキシ-β-D-グルコピラノシル]-2-デオキシ-β-D-グルコピラノシド
N-[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3-アミノ-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-2-{[(2R,3S,4R,5R,6S)-5-アセトアミド-4-ヒドロキシ-2-(ヒドロキシメチル)-6-[(4-メチル-2-オキソ-2H-クロメン-7-イル)オキシ]オキサン-3-イル]オキシ}-4-ヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]アセトアミド
N-[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxan-3-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Other name (1):
4-Methyl-2-oxo-2H-1-benzopyran-7-yl 2-(acetylamino)-4-O-[2-(acetylamino)-4-O-(2-amino-2-deoxy-β-D-glucopyranosyl)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranoside
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