(3R)-3-methyl-4-[6-[(2R,4R,5S,6R)-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxidanylidene-2H-pyran-2-yl]oxy]oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]-1,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxidanylidene-2H-pyran-2-yl]oxy]oxan-2-yl]oxy-butanoic acid

Systemtic Name: (3R)-3-methyl-4-[6-[(2R,4R,5S,6R)-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxidanylidene-2H-pyran-2-yl]oxy]oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]-1,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxidanylidene-2H-pyran-2-yl]oxy]oxan-2-yl]oxy-butanoic acid Openeye Name: (3R)-4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-9,10-dioxo-2-anthryl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]tetrahydropyran-2-yl]oxy-butanoic acid CAS Name: (3R)-4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]-2-oxanyl]oxy]-2-oxanyl]-9,10-dioxo-2-anthracenyl]-3-methyl-3-[[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]-2-oxanyl]oxy]butanoic acid IUPAC Name: (3R)-4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxybutanoic acid Traditional Name: (3R)-4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,5S,6S)-5-[[(2R,6S)-5-keto-6-methyl-2H-pyran-2-yl]oxy]-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]-9,10-diketo-2-anthryl]-3-[(2S,5S,6S)-5-[[(2R,6S)-5-keto-6-methyl-2H-pyran-2-yl]oxy]-6-methyl-tetrahydropyran-2-yl]oxy-3-methyl-butyric acid Formula: C49H58O18 MolecularWeight: 934.97402

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(O1)OC2C(OC(CC2O)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=CC(=C5O)CC(C)(CC(=O)O)OC6CCC(C(O6)C)OC7C=CC(=O)C(O7)C)O)C)OC8C=CC(=O)C(O8)C

Isomeric SMILES

C[C@H]1[C@H](CC[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2O)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=CC(=C5O)C[C@](C)(CC(=O)O)O[C@H]6CC[C@@H]([C@@H](O6)C)O[C@H]7C=CC(=O)[C@@H](O7)C)O)C)O[C@H]8C=CC(=O)[C@@H](O8)C

InChI

InChI=1S/C49H58O18/c1-22-31(50)11-15-38(60-22)64-34-13-17-40(62-24(34)3)66-48-26(5)59-36(19-33(48)52)28-9-10-30-43(45(28)56)47(58)29-8-7-27(44(55)42(29)46(30)57)20-49(6,21-37(53)54)67-41-18-14-35(25(4)63-41)65-39-16-12-32(51)23(2)61-39/h7-12,15-16,22-26,33-36,38-41,48,52,55-56H,13-14,17-21H2,1-6H3,(H,53,54)/t22-,23-,24-,25-,26+,33+,34-,35-,36+,38-,39-,40-,41-,48+,49+/m0/s1