(2S,3S)-3-[(1S,3S,4R)-1-methoxy-3,4-bis(oxidanyl)-2-oxidanylidene-pentyl]-6-[(2S,4R,5S,6R)-4-[(2S,4S,5S,6S)-5-methoxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-2-[(2R,4S,5S,6S)-6-methyl-4-[(4S,5R,6S)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-8,9-bis(oxidanyl)-3,4-dihydro-2H-anthracen-1-one

Systemtic Name: (2S,3S)-3-[(1S,3S,4R)-1-methoxy-3,4-bis(oxidanyl)-2-oxidanylidene-pentyl]-6-[(2S,4R,5S,6R)-4-[(2S,4S,5S,6S)-5-methoxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-2-[(2R,4S,5S,6S)-6-methyl-4-[(4S,5R,6S)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-8,9-bis(oxidanyl)-3,4-dihydro-2H-anthracen-1-one Openeye Name: (2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-2-[(2R,4S,5S,6S)-4-[(4S,5R,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-8,9-dihydroxy-6-[(2S,4R,5S,6R)-5-hydroxy-4-[(2S,4S,5S,6S)-4-hydroxy-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydro-2H-anthracen-1-one CAS Name: (2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2-[[(2R,4S,5S,6S)-4-[[(4S,5R,6S)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-5-hydroxy-6-methyl-2-oxanyl]oxy]-8,9-dihydroxy-6-[[(2S,4R,5S,6R)-5-hydroxy-4-[[(2S,4S,5S,6S)-4-hydroxy-5-methoxy-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-3,4-dihydro-2H-anthracen-1-one IUPAC Name: (2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2-[(2R,4S,5S,6S)-4-[(4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-6-[(2S,4R,5S,6R)-5-hydroxy-4-[(2S,4S,5S,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,4-dihydro-2H-anthracen-1-one Traditional Name: (2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-2-keto-1-methoxy-pentyl]-2-[(2R,4S,5S,6S)-4-[(4S,5R,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-8,9-dihydroxy-6-[(2S,4R,5S,6R)-5-hydroxy-4-[(2S,4S,5S,6S)-4-hydroxy-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydro-2H-anthracen-1-one Formula: C45H64O21 MolecularWeight: 940.97706

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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)O)OC7CC(C(C(O7)C)OC)O)O)C(C(=O)C(C(C)O)O)OC)O)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)OC2=CC3=CC4=C(C(=O)[C@H]([C@@H](C4)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@@H]5C[C@@H]([C@H]([C@@H](O5)C)O)OC6C[C@@H]([C@H]([C@@H](O6)C)O)O)C(=C3C(=C2)O)O)O[C@H]7C[C@@H]([C@@H]([C@@H](O7)C)OC)O)O

InChI

InChI=1S/C45H64O21/c1-16(46)36(50)42(56)44(58-7)24-10-22-8-21-9-23(63-32-14-28(38(52)18(3)60-32)65-31-13-27(49)43(57-6)20(5)62-31)11-25(47)34(21)40(54)35(22)41(55)45(24)66-33-15-29(39(53)19(4)61-33)64-30-12-26(48)37(51)17(2)59-30/h8-9,11,16-20,24,26-33,36-39,43-54H,10,12-15H2,1-7H3/t16-,17+,18-,19+,20+,24+,26+,27+,28-,29+,30?,31+,32+,33-,36+,37+,38+,39+,43-,44+,45+/m1/s1