[(2S,3S,4S,6R)-6-[(2R,3R,4R,6S)-6-[(2R,3S,4R,6S)-6-[[(2S,3S)-6-[(2S,4R,5R,6R)-5-acetyloxy-4-[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyl-oxan-4-yl]oxy-3-hydroxy-2-methyl-oxan-4-yl]oxy-4-hydroxy-2,4-dimethyl-oxan-3-yl] 2-methylpropanoate
Molecular Formula:
C59H86O26
InChI: InChI=1/C59H86O26/c1-22(2)58(70)85-57-29(9)78-43(21-59(57,11)71)82-37-18-40(74-25(5)49(37)66)81-36-19-42(75-26(6)48(36)65)84-56-33(55(73-13)52(69)47(64)24(4)60)15-31-14-32-16-35(23(3)46(63)44(32)50(67)45(31)51(56)68)80-41-20-38(54(28(8)77-41)79-30(10)61)83-39-17-34(62)53(72-12)27(7)76-39/h14,16,22,24-29,33-34,36-43,47-49,53-57,60,62-67,71H,15,17-21H2,1-13H3/t24-,25-,26-,27-,28-,29+,33+,34-,36-,37-,38-,39-,40+,41+,42+,43+,47+,48-,49-,53+,54+,55+,56+,57+,59+/m1/s1
InChIKey: InChIKey=WPLCTUHONLQGIX-TWTCTLMIBN
SMILES: CC1C(C(CC(O1)OC2C(CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)OC5CC(C(C(O5)C)OC(=O)C)OC6CC(C(C(O6)C)OC)O)O)C(C(=O)C(C(C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C(C)C)(C)O)O
Names:
[(2S,3S,4S,6R)-6-[(2R,3R,4R,6S)-6-[(2R,3S,4R,6S)-6-[[(2S,3S)-6-[(2S,4R,5R,6R)-5-acetyloxy-4-[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyl-oxan-4-yl]oxy-3-hydroxy-2-methyl-oxan-4-yl]oxy-4-hydroxy-2,4-dimethyl-oxan-3-yl] 2-methylpropanoate
Registries:
PubChem CID 201841
PubChem ID 8140160
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