[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(6S)-3-methoxy-6,9-bis(oxidanyl)-8-oxidanylidene-6-(2-oxidanylidenepropyl)-5,7-dihydroanthracen-1-yl]oxy]oxan-2-yl]methoxy]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(6S)-3-methoxy-6,9-bis(oxidanyl)-8-oxidanylidene-6-(2-oxidanylidenepropyl)-5,7-dihydroanthracen-1-yl]oxy]oxan-2-yl]methoxy]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[[(6S)-6-acetonyl-6,9-dihydroxy-3-methoxy-8-oxo-5,7-dihydroanthracen-1-yl]oxy]-3,4,5-triacetoxy-tetrahydropyran-2-yl]methoxy]-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(6S)-6,9-dihydroxy-3-methoxy-8-oxo-6-(2-oxopropyl)-5,7-dihydroanthracen-1-yl]oxy]-2-oxanyl]methoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(6S)-6,9-dihydroxy-3-methoxy-8-oxo-6-(2-oxopropyl)-5,7-dihydroanthracen-1-yl]oxy]oxan-2-yl]methoxy]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[[(6S)-6-acetonyl-6,9-dihydroxy-8-keto-3-methoxy-5,7-dihydroanthracen-1-yl]oxy]-3,4,5-triacetoxy-tetrahydropyran-2-yl]methoxy]-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl ester Formula: C44H52O23 MolecularWeight: 948.86988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1(CC2=C(C(=O)C1)C(=C3C(=C2)C=C(C=C3OC4C(C(C(C(O4)COC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC)O)O

Isomeric SMILES

CC(=O)C[C@]1(CC2=C(C(=O)C1)C(=C3C(=C2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC)O)O

InChI

InChI=1S/C44H52O23/c1-18(45)13-44(55)14-27-10-26-11-28(56-9)12-30(34(26)35(54)33(27)29(53)15-44)65-43-41(64-25(8)52)39(62-23(6)50)37(60-21(4)48)32(67-43)17-58-42-40(63-24(7)51)38(61-22(5)49)36(59-20(3)47)31(66-42)16-57-19(2)46/h10-12,31-32,36-43,54-55H,13-17H2,1-9H3/t31-,32-,36-,37-,38+,39+,40-,41-,42-,43-,44-/m1/s1