methyl 10-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-3-(propanoylamino)oxan-2-yl]oxydecanoate

Systemtic Name: methyl 10-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-3-(propanoylamino)oxan-2-yl]oxydecanoate Openeye Name: methyl 10-[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3-(propanoylamino)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxydecanoate CAS Name: 10-[[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3-(1-oxopropylamino)-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]decanoic acid methyl ester IUPAC Name: methyl 10-[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3-(propanoylamino)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxydecanoate Traditional Name: 10-[(2R,3R,4R,5S,6R)-5-hydroxy-6-methylol-3-propionamido-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxycapric acid methyl ester Formula: C26H47NO13 MolecularWeight: 581.65028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1C(C(C(OC1OCCCCCCCCCC(=O)OC)CO)O)OC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

CCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCCCCCCCCC(=O)OC)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C26H47NO13/c1-3-17(30)27-19-24(40-26-23(35)22(34)20(32)15(13-28)39-26)21(33)16(14-29)38-25(19)37-12-10-8-6-4-5-7-9-11-18(31)36-2/h15-16,19-26,28-29,32-35H,3-14H2,1-2H3,(H,27,30)/t15-,16-,19-,20+,21-,22+,23-,24-,25-,26+/m1/s1