(2S,3R,4R,5R,6S)-2-methyl-6-[[(2R,3R,4S,5R,6R)-5-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]-4-[(2S,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]methoxy]oxane-3,4,5-triol

Systemtic Name: (2S,3R,4R,5R,6S)-2-methyl-6-[[(2R,3R,4S,5R,6R)-5-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]-4-[(2S,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]methoxy]oxane-3,4,5-triol Openeye Name: (2S,3R,4R,5R,6S)-2-[[(2R,3R,4S,5R,6R)-3-hydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]tetrahydropyran-2-yl]methoxy]-6-methyl-tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4R,5R,6S)-2-[[(2R,3R,4S,5R,6R)-3-hydroxy-5-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-4-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]oxy]-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]-2-oxanyl]methoxy]-6-methyloxane-3,4,5-triol IUPAC Name: (2S,3R,4R,5R,6S)-2-[[(2R,3R,4S,5R,6R)-3-hydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]oxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol Traditional Name: (2S,3R,4R,5R,6S)-2-[[(2R,3R,4S,5R,6R)-3-hydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]tetrahydropyran-2-yl]methoxy]-6-methyl-tetrahydropyran-3,4,5-triol Formula: C38H64O18 MolecularWeight: 808.90396

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC=C(C)CCC=C(C)CCC=C(C)C)OC3C(C(C(C(O3)C)O)O)O)OC4C(C(C(CO4)O)O)O)O)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)O[C@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)O)O)O)O

InChI

InChI=1S/C38H64O18/c1-17(2)9-7-10-18(3)11-8-12-19(4)13-14-49-38-34(56-37-32(48)29(45)25(41)21(6)53-37)33(55-36-30(46)26(42)22(39)15-50-36)27(43)23(54-38)16-51-35-31(47)28(44)24(40)20(5)52-35/h9,11,13,20-48H,7-8,10,12,14-16H2,1-6H3/b18-11+,19-13+/t20-,21-,22-,23+,24-,25-,26-,27+,28+,29+,30+,31+,32+,33-,34+,35-,36-,37-,38+/m0/s1