(5aS,8aR,9S)-4-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-9-[4-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,5-dimethoxy-phenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

Systemtic Name: (5aS,8aR,9S)-4-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-9-[4-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,5-dimethoxy-phenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one Openeye Name: (5aS,8aR,9S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-9-[4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,5-dimethoxy-phenyl]-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one CAS Name: (5aS,8aR,9S)-4-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-9-[4-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one IUPAC Name: (5aS,8aR,9S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-9-[4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one Traditional Name: (5aS,8aR,9S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-9-[4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-3,5-dimethoxy-phenyl]-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one Formula: C31H36O16 MolecularWeight: 664.60794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC2C(C(C(O2)CO)O)O)OC)C3C4C(CC5=C(C6=C(C=C35)OCO6)OC7C(C(C(O7)CO)O)O)COC4=O

Isomeric SMILES

COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)OC)[C@@H]3[C@@H]4[C@H](CC5=C(C6=C(C=C35)OCO6)O[C@H]7[C@@H]([C@H]([C@@H](O7)CO)O)O)COC4=O

InChI

InChI=1S/C31H36O16/c1-39-15-4-11(5-16(40-2)27(15)47-31-25(37)23(35)19(8-33)45-31)20-13-6-17-28(43-10-42-17)26(14(13)3-12-9-41-29(38)21(12)20)46-30-24(36)22(34)18(7-32)44-30/h4-6,12,18-25,30-37H,3,7-10H2,1-2H3/t12-,18+,19+,20+,21+,22+,23+,24-,25-,30+,31+/m1/s1