[(2S,3R,4S,5S,6R)-2-[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-6-[[(2R,3R,4R,5S,6S)-6-methyl-3,5-bis(oxidanyl)-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxymethyl]-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

Systemtic Name: [(2S,3R,4S,5S,6R)-2-[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-6-[[(2R,3R,4R,5S,6S)-6-methyl-3,5-bis(oxidanyl)-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxymethyl]-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate Openeye Name: [(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxymethyl]-5-hydroxy-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-4-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxyphenyl)acrylic acid [(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-3-yl]oxy-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl] ester Formula: C47H54O25 MolecularWeight: 1018.91666

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)COC6C(C(C(C(O6)C)O)OC7C(C(C(CO7)O)O)O)O)O)OC(=O)C=CC8=CC=C(C=C8)O)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O)OC(=O)/C=C/C8=CC=C(C=C8)O)O)O)O

InChI

InChI=1S/C47H54O25/c1-17-30(54)35(59)37(61)46(66-17)72-43-41(69-28(53)12-5-19-3-8-21(48)9-4-19)33(57)27(16-64-45-38(62)40(31(55)18(2)65-45)70-44-36(60)32(56)25(52)15-63-44)68-47(43)71-42-34(58)29-24(51)13-23(50)14-26(29)67-39(42)20-6-10-22(49)11-7-20/h3-14,17-18,25,27,30-33,35-38,40-41,43-52,54-57,59-62H,15-16H2,1-2H3/b12-5+/t17-,18-,25+,27+,30-,31-,32-,33-,35+,36+,37+,38+,40+,41-,43+,44-,45+,46-,47-/m0/s1