S-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-6-[2-[2-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]ethoxy]ethoxy]-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] 4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-iodanyl-2,3-dimethoxy-6-methyl-benzenecarbothioate

Systemtic Name: S-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-6-[2-[2-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]ethoxy]ethoxy]-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] 4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-iodanyl-2,3-dimethoxy-6-methyl-benzenecarbothioate Openeye Name: S-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-6-[2-[2-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]ethoxy]ethoxy]-4-hydroxy-2-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] 5-iodo-2,3-dimethoxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzenecarbothioate CAS Name: 5-iodo-2,3-dimethoxy-6-methyl-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzenecarbothioic acid S-[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-6-[2-[2-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]ethoxy]ethoxy]-4-hydroxy-2-methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-oxanyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl] ester IUPAC Name: S-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-6-[2-[2-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]ethoxy]ethoxy]-4-hydroxy-2-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 5-iodo-2,3-dimethoxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzenecarbothioate Traditional Name: 5-iodo-2,3-dimethoxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-thiobenzoic acid S-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-6-[2-[2-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]ethoxy]ethoxy]-4-hydroxy-2-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl] ester Formula: C59H75IO32S MolecularWeight: 1455.17707

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCCOCCOC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)OC6C(C(C(C(O6)CO)O)O)O)O)OC7C(C(C(C(O7)CO)SC(=O)C8=C(C(=C(C(=C8OC)OC)OC9C(C(C(C(O9)CO)O)O)O)I)C)O)O

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCOCCO[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)SC(=O)C8=C(C(=C(C(=C8OC)OC)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)I)C)O)O

InChI

InChI=1S/C59H75IO32S/c1-19-29(49(81-5)52(82-6)50(34(19)60)91-55-44(74)41(71)37(67)26(16-61)87-55)54(78)93-53-28(18-63)89-57(46(76)43(53)73)90-48-20(2)86-58(51(47(48)77)92-56-45(75)42(72)38(68)27(17-62)88-56)85-13-11-83-10-12-84-25-15-59(79,21(3)64)14-23-31(25)40(70)33-32(36(23)66)35(65)22-8-7-9-24(80-4)30(22)39(33)69/h7-9,20,25-28,37-38,41-48,51,53,55-58,61-63,66-68,70-77,79H,10-18H2,1-6H3/t20-,25+,26-,27-,28-,37-,38-,41+,42+,43-,44-,45-,46-,47+,48-,51-,53-,55+,56+,57+,58-,59+/m1/s1