[(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-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:
C58H84O26
InChI: InChI=1/C58H84O26/c1-22(2)57(69)84-56-28(8)77-43(21-58(56,10)70)81-37-18-41(73-24(4)48(37)65)80-36-19-42(74-25(5)47(36)64)83-55-33(54(72-12)51(68)46(63)23(3)59)15-31-13-30-14-32(16-34(61)44(30)49(66)45(31)50(55)67)79-40-20-38(53(27(7)76-40)78-29(9)60)82-39-17-35(62)52(71-11)26(6)75-39/h13-14,16,22-28,33,35-43,46-48,52-56,59,61-66,70H,15,17-21H2,1-12H3/t23-,24-,25-,26-,27-,28+,33+,35-,36-,37-,38-,39-,40+,41+,42+,43+,46+,47-,48-,52+,53+,54+,55+,56+,58+/m1/s1
InChIKey: InChIKey=OCOLTXUAPMAMPP-AJVJTBPOBO
SMILES: CC1C(C(CC(O1)OC2C(CC3=C(C2=O)C(=C4C(=C3)C=C(C=C4O)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-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 122806
PubChem ID 10240235
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