(2R,3R)-2-[2-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,5,7-tris(oxidanyl)-2,3-dihydrochromen-4-one

Systemtic Name: (2R,3R)-2-[2-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,5,7-tris(oxidanyl)-2,3-dihydrochromen-4-one Openeye Name: (2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]chroman-4-one CAS Name: (2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one Traditional Name: (2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]chroman-4-one Formula: C31H32O15 MolecularWeight: 644.57678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)COC6C(C(C(C(O6)CO)O)O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O

InChI

InChI=1S/C31H32O15/c1-41-18-6-12(2-4-15(18)34)29-22(11-42-31-28(40)26(38)24(36)21(10-32)46-31)43-17-5-3-13(7-19(17)44-29)30-27(39)25(37)23-16(35)8-14(33)9-20(23)45-30/h2-9,21-22,24,26-36,38-40H,10-11H2,1H3/t21-,22?,24-,26+,27+,28-,29?,30-,31-/m1/s1