(2S,4S,5R,6R)-5-acetamido-2-[(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-6-[[(2R,4R,5R,6R)-5-acetamido-6-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxidanyl-3-oxidanylidene-propoxy]-3-[(2S,3R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]methoxy]-2-(hydroxymethyl)-4-[(3S,4R,5S,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]oxy-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: (2S,4S,5R,6R)-5-acetamido-2-[(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-6-[[(2R,4R,5R,6R)-5-acetamido-6-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxidanyl-3-oxidanylidene-propoxy]-3-[(2S,3R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]methoxy]-2-(hydroxymethyl)-4-[(3S,4R,5S,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]oxy-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2S,4S,5R,6R)-5-acetamido-2-[(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-6-[[(2R,4R,5R,6R)-5-acetamido-6-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-3-oxo-propoxy]-4-hydroxy-3-[(2S,3R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]-2-(hydroxymethyl)-4-[(3S,4R,5S,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic CAS Name: (2S,4S,5R,6R)-5-acetamido-2-[[(3R,4S,5S,6R)-2-[[(2R,3S,4R,5R)-5-acetamido-6-[[(2R,4R,5R,6R)-5-acetamido-6-[2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-hydroxy-3-oxopropoxy]-4-hydroxy-3-[[(2S,3R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]methoxy]-2-(hydroxymethyl)-4-[[(3S,4R,5S,6R)-3,4,5,6-tetrahydroxy-2-oxanyl]oxy]-3-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid IUPAC Name: (2S,4S,5R,6R)-5-acetamido-2-[(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-6-[[(2R,4R,5R,6R)-5-acetamido-6-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-3-oxopropoxy]-4-hydroxy-3-[(2S,3R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-2-(hydroxymethyl)-4-[(3S,4R,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid Traditional Name: (2S,4S,5R,6R)-5-acetamido-2-[(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-6-[[(2R,4R,5R,6R)-5-acetamido-6-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-3-keto-propoxy]-4-hydroxy-3-[(2S,3R,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]-2-methylol-4-[(3S,4R,5S,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid Formula: C62H88N4O38 MolecularWeight: 1497.36612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2O)OC3C(OC(C(C3OC4C(C(C(C(O4)O)O)O)O)NC(=O)C)OCC5C(C(C(C(O5)OCC(C(=O)O)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)NC(=O)C)O)OC9C(C(C(C(O9)CO)O)O)O)CO)CO)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1C(C(CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](OC([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3OC4[C@H]([C@@H]([C@@H]([C@@H](O4)O)O)O)O)NC(=O)C)OC[C@@H]5C([C@@H]([C@H]([C@@H](O5)OCC(C(=O)O)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)NC(=O)C)O)O[C@H]9[C@@H](C([C@H]([C@H](O9)CO)O)O)O)CO)CO)O)O

InChI

InChI=1S/C62H88N4O38/c1-20(71)63-35-29(74)12-62(60(89)90,103-50(35)38(76)30(75)13-67)104-52-40(78)32(15-69)96-59(47(52)85)100-49-33(16-70)97-56(37(65-22(3)73)51(49)101-58-46(84)43(81)44(82)54(88)102-58)93-19-34-48(99-57-45(83)42(80)39(77)31(14-68)95-57)41(79)36(64-21(2)72)55(98-34)92-18-28(53(86)87)66-61(91)94-17-27-25-10-6-4-8-23(25)24-9-5-7-11-26(24)27/h4-11,27-52,54-59,67-70,74-85,88H,12-19H2,1-3H3,(H,63,71)(H,64,72)(H,65,73)(H,66,91)(H,86,87)(H,89,90)/t28?,29-,30?,31+,32+,33+,34+,35+,36+,37+,38?,39-,40-,41+,42?,43+,44-,45+,46-,47+,48?,49+,50+,51+,52-,54+,55+,56?,57-,58?,59?,62-/m0/s1