(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[(3S,6E,10E,14Z)-16-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,7,11,15-tetramethyl-hexadeca-1,6,10,14-tetraen-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol

Systemtic Name: (2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[(3S,6E,10E,14Z)-16-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,7,11,15-tetramethyl-hexadeca-1,6,10,14-tetraen-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol Openeye Name: (2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6S)-6-[(1S,4E,8E,12Z)-14-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1,5,9,13-tetramethyl-1-vinyl-tetradeca-4,8,12-trienoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4R,5R,6S)-2-[[(2R,3S,4R,5R,6S)-6-[(3S,6E,10E,14Z)-16-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-6-methyloxane-3,4,5-triol IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6S)-6-[(3S,6E,10E,14Z)-16-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol Traditional Name: (2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6S)-6-[(1S,4E,8E,12Z)-14-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1,5,9,13-tetramethyl-1-vinyl-tetradeca-4,8,12-trienoxy]-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol Formula: C44H74O21 MolecularWeight: 939.04576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC(C)(CCC=C(C)CCC=C(C)CCC=C(C)COC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)C=C)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](O[C@H]([C@@H]([C@H]2O)O)O[C@@](C)(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C)CO)O)O)O

InChI

InChI=1S/C44H74O21/c1-7-44(6,65-42-37(57)34(54)38(27(19-47)62-42)63-40-35(55)31(51)28(48)24(5)59-40)16-10-15-22(3)12-8-11-21(2)13-9-14-23(4)20-58-43-39(33(53)30(50)26(18-46)61-43)64-41-36(56)32(52)29(49)25(17-45)60-41/h7,11,14-15,24-43,45-57H,1,8-10,12-13,16-20H2,2-6H3/b21-11+,22-15+,23-14-/t24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34+,35+,36+,37+,38+,39+,40-,41-,42-,43+,44+/m0/s1