(2S,3S)-3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one
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![(2S,3S)-3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/675d445c56ce40adbfee69298b1837bd.png "(2S,3S)-3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one")
(2S,3S)-3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one
structure -
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CAS No:
62043-50-9
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Formula:
C20H28O9
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Chemical Name:
(2S,3S)-3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one
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Synonyms:
pterosides;62043-50-9;Pterosides;Pteroside S;DTXSID10977597;1H-Inden-1-one, 6-(2-(beta-D-glucopyranosyloxy)ethyl)-2,3-dihydro-3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-, (2S-trans)-;2-[1-Hydroxy-4-(hydroxymethyl)-2,6-dimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl hexopyranoside
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CAS No:
(2S,3S)-3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one Basic Attributes
412.4 g/mol
412.17333247 g/mol
Computed Properties
Molecular Weight:412.4
XLogP3:-1.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:412.17333247
Monoisotopic Mass:412.17333247
Topological Polar Surface Area:157
Heavy Atom Count:29
Complexity:572
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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