Chemical Compound

(2S,4aR,6S,7R,8R,8aS)-6-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-[(5-aminopentyl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-8-(benzoyloxy)-7-acetamido-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid

(2S,4aR,6S,7R,8R,8aS)-6-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-[(5-aminopentyl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-8-(benzoyloxy)-7-acetamido-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid 结构式
Primary record

(2S,4aR,6S,7R,8R,8aS)-6-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-[(5-aminopentyl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-8-(benzoyloxy)-7-acetamido-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101996925
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OCCCCCN)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]5[C@H](O4)CO[C@](O5)(C)C(=O)O)OC(=O)C6=CC=CC=C6)NC(=O)C)O
Canonical SMILES
CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]3[C@@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OCCCCCN)O[C@@H]4CO)O[C@H]3C)[C@@H]2O)O[C@@H]2CO[C@](C)(C(=O)O)O[C@H]2[C@@H]1OC(=O)c1ccccc1

名称与同义词

  • J761.188I
  • (2S,4aR,6S,7R,8R,8aS)-6-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-[(5-aminopentyl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-8-(benzoyloxy)-7-acetamido-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid
  • 5-Aminopentyl 4-O-[4-O-[3-O-[2-(acetylamino)-3-O-benzoyl-2-deoxy-4-O,6-O-[(S)-1-carboxyethylidene]-beta-D-glucopyranosyl]-alpha-D-galactopyranosyl]-beta-L-rhamnopyranosyl]-beta-D-glucopyranoside