2-[3,4-bis(oxidanyl)phenyl]-7,8-bis[[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-5-oxidanyl-chromen-4-one

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis[[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-5-oxidanyl-chromen-4-one Openeye Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]chromen-4-one CAS Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one Traditional Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy]chromone Formula: C27H30O17 MolecularWeight: 626.5169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O

InChI

InChI=1S/C27H30O17/c28-6-15-18(34)20(36)22(38)26(42-15)41-14-5-12(33)17-11(32)4-13(8-1-2-9(30)10(31)3-8)40-25(17)24(14)44-27-23(39)21(37)19(35)16(7-29)43-27/h1-5,15-16,18-23,26-31,33-39H,6-7H2/t15-,16-,18-,19-,20+,21+,22-,23-,26-,27+/m1/s1