methyl (2R,3R,4S)-3-ethenyl-4-(9H-pyrido[3,4-b]indole-1-carbonyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
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methyl (2R,3R,4S)-3-ethenyl-4-(9H-pyrido[3,4-b]indole-1-carbonyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
structure -
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CAS No:
88644-38-6
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Formula:
C27H28N2O10
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Chemical Name:
methyl (2R,3R,4S)-3-ethenyl-4-(9H-pyrido[3,4-b]indole-1-carbonyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
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Synonyms:
Isopauridianthoside;88644-38-6;DTXSID60237214
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CAS No:
methyl (2R,3R,4S)-3-ethenyl-4-(9H-pyrido[3,4-b]indole-1-carbonyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate Basic Attributes
540.5 g/mol
540.17439509 g/mol
DTXSID60237214
Computed Properties
Molecular Weight:540.5
XLogP3:0.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:540.17439509
Monoisotopic Mass:540.17439509
Topological Polar Surface Area:181
Heavy Atom Count:39
Complexity:961
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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