[6-[[7-[(3R,4S)-1-methoxy-3,4-bis(oxidanyl)-2-oxidanylidene-pentyl]-6-[6-methyl-4-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4,10-bis(oxidanyl)-5-oxidanylidene-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(5-methoxy-6-methyl-4-oxidanyl-oxan-2-yl)oxy-2-methyl-oxan-4-yl] ethanoate

Systemtic Name: [6-[[7-[(3R,4S)-1-methoxy-3,4-bis(oxidanyl)-2-oxidanylidene-pentyl]-6-[6-methyl-4-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4,10-bis(oxidanyl)-5-oxidanylidene-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(5-methoxy-6-methyl-4-oxidanyl-oxan-2-yl)oxy-2-methyl-oxan-4-yl] ethanoate Openeye Name: [6-[[7-[(3R,4S)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-6-[4-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,10-dihydroxy-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(4-hydroxy-5-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-2-methyl-tetrahydropyran-4-yl] acetate CAS Name: acetic acid [6-[[7-[(3R,4S)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[[4-[(4,5-dihydroxy-6-methyl-2-oxanyl)oxy]-5-hydroxy-6-methyl-2-oxanyl]oxy]-4,10-dihydroxy-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-[(4-hydroxy-5-methoxy-6-methyl-2-oxanyl)oxy]-2-methyl-4-oxanyl] ester IUPAC Name: [6-[[7-[(3R,4S)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-4-yl] acetate Traditional Name: acetic acid [6-[[7-[(3R,4S)-3,4-dihydroxy-2-keto-1-methoxy-pentyl]-6-[4-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,10-dihydroxy-5-keto-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(4-hydroxy-5-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-2-methyl-tetrahydropyran-4-yl] ester Formula: C47H66O22 MolecularWeight: 983.01374

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3C(CC4=C(C3=O)C(=C5C(=C4)C=C(C=C5O)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC)O)OC(=O)C)O)C(C(=O)C(C(C)O)O)OC)O)O

Isomeric SMILES

CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3C(CC4=C(C3=O)C(=C5C(=C4)C=C(C=C5O)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC)O)OC(=O)C)O)C(C(=O)[C@@H]([C@H](C)O)O)OC)O)O

InChI

InChI=1S/C47H66O22/c1-17(48)38(53)43(58)46(60-8)26-11-24-9-23-10-25(66-34-16-31(65-22(6)49)45(21(5)64-34)68-33-14-29(52)44(59-7)20(4)63-33)12-27(50)36(23)41(56)37(24)42(57)47(26)69-35-15-30(40(55)19(3)62-35)67-32-13-28(51)39(54)18(2)61-32/h9-10,12,17-21,26,28-35,38-40,44-48,50-56H,11,13-16H2,1-8H3/t17-,18?,19?,20?,21?,26?,28?,29?,30?,31?,32?,33?,34?,35?,38+,39?,40?,44?,45?,46?,47?/m0/s1