[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-2-(hydroxymethyl)-5-[[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(3-methylbut-2-enyl)phenyl]carbonyloxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(3-methylbut-2-enyl)benzoate

Systemtic Name: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-2-(hydroxymethyl)-5-[[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(3-methylbut-2-enyl)phenyl]carbonyloxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(3-methylbut-2-enyl)benzoate Openeye Name: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5-[[3,5-bis(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoyl]oxymethyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 3,5-bis(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoate CAS Name: 3,5-bis(3-methylbut-2-enyl)-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzoic acid [(2R,3S,4S,5R,6R)-6-[[(2S,3S,4S,5R)-5-[[[3,5-bis(3-methylbut-2-enyl)-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-oxomethoxy]methyl]-3,4-dihydroxy-2-(hydroxymethyl)-2-oxolanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5-[[3,5-bis(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxymethyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,5-bis(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate Traditional Name: 3,5-bis(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzoic acid [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5-[[3,5-bis(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzoyl]oxymethyl]-3,4-dihydroxy-2-methylol-tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C58H82O25 MolecularWeight: 1179.25668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)CC=C(C)C)C(=O)OCC3C(C(C(C(O3)OC4(C(C(C(O4)COC(=O)C5=CC(=C(C(=C5)CC=C(C)C)OC6C(C(C(C(O6)CO)O)O)O)CC=C(C)C)O)O)CO)O)O)O)C

Isomeric SMILES

CC(=CCC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC=C(C)C)C(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@H]([C@@H]([C@H](O4)COC(=O)C5=CC(=C(C(=C5)CC=C(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)CC=C(C)C)O)O)CO)O)O)O)C

InChI

InChI=1S/C58H82O25/c1-26(2)9-13-30-17-34(18-31(14-10-27(3)4)50(30)80-55-47(69)44(66)40(62)36(21-59)77-55)53(73)75-23-38-42(64)46(68)49(71)57(79-38)83-58(25-61)52(72)43(65)39(82-58)24-76-54(74)35-19-32(15-11-28(5)6)51(33(20-35)16-12-29(7)8)81-56-48(70)45(67)41(63)37(22-60)78-56/h9-12,17-20,36-49,52,55-57,59-72H,13-16,21-25H2,1-8H3/t36-,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47-,48-,49-,52+,55+,56+,57-,58+/m1/s1