3-[3-acetamido-4-[5-[3-acetamido-6-(hydroxymethyl)-4-methoxy-5-oxidanyl-oxan-2-yl]oxy-6-ethanoyl-3-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: 3-[3-acetamido-4-[5-[3-acetamido-6-(hydroxymethyl)-4-methoxy-5-oxidanyl-oxan-2-yl]oxy-6-ethanoyl-3-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid Openeye Name: 3-[3-acetamido-4-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-methoxy-tetrahydropyran-2-yl]oxy-6-acetyl-3-hydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-carboxylic acid CAS Name: 3-[[3-acetamido-4-[[5-[[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-methoxy-2-oxanyl]oxy]-6-acetyl-3-hydroxy-2-oxanyl]oxy]-5-hydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,5-dihydroxy-6-methyl-2-oxanecarboxylic acid IUPAC Name: 3-[3-acetamido-4-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-acetyl-3-hydroxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxane-2-carboxylic acid Traditional Name: 3-[3-acetamido-4-[5-(3-acetamido-5-hydroxy-4-methoxy-6-methylol-tetrahydropyran-2-yl)oxy-6-acetyl-3-hydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-carboxylic acid Formula: C31H50N2O20 MolecularWeight: 770.7301

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)C(=O)O)OC2C(C(C(C(O2)CO)O)OC3C(CC(C(O3)C(=O)C)OC4C(C(C(C(O4)CO)O)OC)NC(=O)C)O)NC(=O)C)O)O

Isomeric SMILES

CC1C(C(C(C(O1)C(=O)O)OC2C(C(C(C(O2)CO)O)OC3C(CC(C(O3)C(=O)C)OC4C(C(C(C(O4)CO)O)OC)NC(=O)C)O)NC(=O)C)O)O

InChI

InChI=1S/C31H50N2O20/c1-9(36)23-14(48-30-17(32-11(3)37)24(46-5)20(41)15(7-34)49-30)6-13(39)29(51-23)52-25-18(33-12(4)38)31(50-16(8-35)21(25)42)53-26-22(43)19(40)10(2)47-27(26)28(44)45/h10,13-27,29-31,34-35,39-43H,6-8H2,1-5H3,(H,32,37)(H,33,38)(H,44,45)