2-[3-[3-[7-[3-[3-(carboxymethyl)phenyl]-5-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]heptyl]-5-[(2S,3R,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[3-[7-[3-[3-(carboxymethyl)phenyl]-5-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]heptyl]-5-[(2S,3R,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]phenyl]ethanoic acid Openeye Name: 2-[3-[3-[7-[3-[3-(carboxymethyl)phenyl]-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]heptyl]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]phenyl]acetic acid CAS Name: 2-[3-[3-[7-[3-[3-(carboxymethyl)phenyl]-5-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]heptyl]-5-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]phenyl]acetic acid IUPAC Name: 2-[3-[3-[7-[3-[3-(carboxymethyl)phenyl]-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]heptyl]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid Traditional Name: 2-[3-[3-[7-[3-[3-(carboxymethyl)phenyl]-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]heptyl]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]phenyl]acetic acid Formula: C47H56O16 MolecularWeight: 876.93794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(=O)O)C2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)CCCCCCCC4=CC(=CC(=C4)C5=CC(=CC=C5)CC(=O)O)OC6C(C(C(C(O6)CO)O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)CC(=O)O)C2=CC(=CC(=C2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CCCCCCCC4=CC(=CC(=C4)C5=CC(=CC=C5)CC(=O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)CO)O)O)O

InChI

InChI=1S/C47H56O16/c48-24-36-40(54)42(56)44(58)46(62-36)60-34-18-26(16-32(22-34)30-12-6-10-28(14-30)20-38(50)51)8-4-2-1-3-5-9-27-17-33(31-13-7-11-29(15-31)21-39(52)53)23-35(19-27)61-47-45(59)43(57)41(55)37(25-49)63-47/h6-7,10-19,22-23,36-37,40-49,54-59H,1-5,8-9,20-21,24-25H2,(H,50,51)(H,52,53)/t36-,37+,40-,41+,42+,43-,44+,45-,46+,47-