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

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]-6-(2-hydroxyethyl)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,8-bis(oxidanyl)chromen-4-one Openeye Name: 2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-6-(2-hydroxyethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one CAS Name: 2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-6-(2-hydroxyethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-6-(2-hydroxyethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one Traditional Name: 2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-6-(2-hydroxyethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone Formula: C29H34O17 MolecularWeight: 654.57006

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=C(C=C(C(=C4C3=O)O)CCO)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=C(C=C(C(=C4C3=O)O)CCO)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O

InChI

InChI=1S/C29H34O17/c1-9-17(34)21(38)23(40)28(43-9)42-8-15-19(36)22(39)24(41)29(44-15)46-27-20(37)16-18(35)10(4-5-30)6-14(33)26(16)45-25(27)11-2-3-12(31)13(32)7-11/h2-3,6-7,9,15,17,19,21-24,28-36,38-41H,4-5,8H2,1H3/t9-,15+,17-,19+,21+,22-,23+,24+,28+,29-/m0/s1