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

Systemtic Name: (2S,3S,4R,5R,6S)-6-[(3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3S,4R,5R,6S)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methoxy-6-methyl-oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4R,5R,6S)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3S,4R,5R,6S)-3-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-[(3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4R,5R,6S)-3-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-[[(2S,3S,4R,5R,6S)-3-methoxy-6-methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-oxanyl]oxy]-4,5-dihydroxy-6-[[(3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl]oxy]-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4R,5R,6S)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3S,4R,5R,6S)-3-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[(3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4R,5R,6S)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3S,4R,5R,6S)-3-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-[(3R,4R,5S,6R)-4-hydroxy-6-methylol-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-carboxylic acid Formula: C42H70O33 MolecularWeight: 1102.9854

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(OCC(C2O)OC3C(C(C(C(O3)C(=O)O)OC4C(C(C(CO4)OC5C(C(C(C(O5)C)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)OC)O)O)O)O)CO)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC[C@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)OC)O)O)O)O)CO)O)O)O

InChI

InChI=1S/C42H70O33/c1-9-16(46)21(51)26(56)38(65-9)72-31-13(6-45)63-7-15(20(31)50)69-41-29(59)24(54)32(34(75-41)36(60)61)73-37-25(55)19(49)14(8-64-37)70-42-35(62-3)33(74-40-28(58)23(53)18(48)12(5-44)68-40)30(10(2)66-42)71-39-27(57)22(52)17(47)11(4-43)67-39/h9-35,37-59H,4-8H2,1-3H3,(H,60,61)/t9-,10-,11+,12+,13+,14+,15+,16-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32-,33+,34-,35-,37-,38-,39-,40+,41-,42-/m0/s1