(E)-1-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methoxy-3-(3-methylbut-2-enyl)-2-oxidanyl-phenyl]-3-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methoxy-3-(3-methylbut-2-enyl)-2-oxidanyl-phenyl]-3-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one Openeye Name: (E)-1-[2-hydroxy-6-methoxy-3-(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]prop-2-en-1-one CAS Name: (E)-1-[2-hydroxy-6-methoxy-3-(3-methylbut-2-enyl)-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-3-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-2-propen-1-one IUPAC Name: (E)-1-[2-hydroxy-6-methoxy-3-(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one Traditional Name: (E)-1-[2-hydroxy-6-methoxy-3-(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]prop-2-en-1-one Formula: C33H42O15 MolecularWeight: 678.67758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)OC)OC4C(C(C(C(O4)CO)O)O)O)C

Isomeric SMILES

CC(=CCC1=C(C=C(C(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C

InChI

InChI=1S/C33H42O15/c1-15(2)4-10-18-20(46-33-31(43)29(41)27(39)23(14-35)48-33)12-21(44-3)24(25(18)37)19(36)11-7-16-5-8-17(9-6-16)45-32-30(42)28(40)26(38)22(13-34)47-32/h4-9,11-12,22-23,26-35,37-43H,10,13-14H2,1-3H3/b11-7+/t22-,23-,26-,27-,28+,29+,30-,31-,32-,33-/m1/s1