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[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-[(E)-3-[4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxy-oxan-2-yl]oxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-4-oxidanyl-oxolan-3-yl] benzoate

Systemtic Name:	[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-[(E)-3-[4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxy-oxan-2-yl]oxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-4-oxidanyl-oxolan-3-yl] benzoate
Openeye Name:	[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6R)-5-acetoxy-6-(acetoxymethyl)-3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-[(E)-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]prop-2-enoyl]oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]tetrahydrof
CAS Name:	benzoic acid [(2S,3S,4R,5R)-2-[[(2R,3R,4S,5R,6R)-4-[[(2S,3R,4R,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-3-hydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-6-(hydroxymethyl)-5-[(E)-1-oxo-3-[4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]phenyl]prop-2-enoxy]-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-3-oxolanyl] ester
IUPAC Name:	[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(E)-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enoyl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate
Traditional Name:	benzoic acid [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6R)-5-acetoxy-6-(acetoxymethyl)-3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-[(E)-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]acryloyl]oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)acryloyl]oxymethyl]-5-methylol-tetrahydrofuran-3-yl] ester
Formula:	C₆₅H₈₂O₃₇
MolecularWeight:	1455.32438

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2=CC=C(C=C2)C=CC(=O)OC3C(OC(C(C3OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC5C(C(C(C(O5)CO)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)OC7(C(C(C(O7)CO)O)OC(=O)C8=CC=CC=C8)COC(=O)C=CC9=CC=C(C=C9)O)CO)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)/C=C/C(=O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@]7([C@H]([C@@H]([C@H](O7)CO)O)OC(=O)C8=CC=CC=C8)COC(=O)/C=C/C9=CC=C(C=C9)O)CO)O)O)O

InChI

InChI=1S/C65H82O37/c1-27-42(75)46(79)49(82)60(89-27)91-34-17-11-31(12-18-34)14-20-41(74)96-53-38(24-69)94-64(102-65(26-88-40(73)19-13-30-9-15-33(72)16-10-30)58(45(78)37(23-68)101-65)100-59(86)32-7-5-4-6-8-32)57(99-62-51(84)48(81)44(77)36(22-67)93-62)56(53)98-63-52(85)55(54(90-29(3)71)39(95-63)25-87-28(2)70)97-61-50(83)47(80)43(76)35(21-66)92-61/h4-20,27,35-39,42-58,60-64,66-69,72,75-85H,21-26H2,1-3H3/b19-13+,20-14+/t27-,35+,36+,37+,38+,39+,42-,43+,44+,45+,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56-,57+,58-,60-,61-,62-,63-,64+,65-/m0/s1