(2S)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4R)-1-ethanoyl-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-pyrrolidin-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4R)-1-ethanoyl-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-pyrrolidin-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4R)-1-acetyl-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-pyrrolidin-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2R,3R,4S,5S,6R)-2-[[(3R,4R)-1-acetyl-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-pyrrolidinyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4R)-1-acetyl-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrrolidin-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-phenylpropanoic acid Traditional Name: (2S)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4R)-1-acetyl-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-pyrrolidin-3-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-3-phenyl-propionic acid Formula: C27H39NO14 MolecularWeight: 601.59686

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CN(CC2OC3C(C(C(C(O3)CO)O)OC(CC4=CC=CC=C4)C(=O)O)O)C(=O)C)O)O)O

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CN(C[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](CC4=CC=CC=C4)C(=O)O)O)C(=O)C)O)O)O

InChI

InChI=1S/C27H39NO14/c1-12-19(31)21(33)22(34)26(38-12)40-16-9-28(13(2)30)10-17(16)41-27-23(35)24(20(32)18(11-29)42-27)39-15(25(36)37)8-14-6-4-3-5-7-14/h3-7,12,15-24,26-27,29,31-35H,8-11H2,1-2H3,(H,36,37)/t12-,15-,16+,17+,18+,19+,20-,21+,22-,23+,24-,26-,27+/m0/s1