(2R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-(9-methoxy-9-oxidanylidene-nonoxy)-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-2-phenyl-ethanoic acid

Systemtic Name: (2R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-(9-methoxy-9-oxidanylidene-nonoxy)-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-2-phenyl-ethanoic acid Openeye Name: (2R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-(9-methoxy-9-oxo-nonoxy)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-2-phenyl-acetic acid CAS Name: (2R)-2-[[(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-(9-methoxy-9-oxononoxy)-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-2-phenylacetic acid IUPAC Name: (2R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-(9-methoxy-9-oxononoxy)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-phenylacetic acid Traditional Name: (2R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-(9-keto-9-methoxy-nonoxy)-2-methylol-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-2-phenyl-acetic acid Formula: C38H59NO19 MolecularWeight: 833.87036

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)OC(C4=CC=CC=C4)C(=O)O)O)CO)OCCCCCCCCC(=O)OC)NC(=O)C)O)O)O

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H](C4=CC=CC=C4)C(=O)O)O)CO)OCCCCCCCCC(=O)OC)NC(=O)C)O)O)O

InChI

InChI=1S/C38H59NO19/c1-19-26(44)28(46)29(47)37(53-19)58-33-25(39-20(2)42)36(52-16-12-7-5-4-6-11-15-24(43)51-3)55-23(18-41)32(33)57-38-30(48)34(27(45)22(17-40)54-38)56-31(35(49)50)21-13-9-8-10-14-21/h8-10,13-14,19,22-23,25-34,36-38,40-41,44-48H,4-7,11-12,15-18H2,1-3H3,(H,39,42)(H,49,50)/t19-,22+,23+,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,36+,37-,38-/m0/s1