NCGC00385195-01
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NCGC00385195-01
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CAS No:
31387-88-9
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Formula:
C35H52O14
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Chemical Name:
NCGC00385195-01
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Synonyms:
Xysmalorin;31387-88-9;DTXSID00953426;ZINC95803389;MCULE-8139216985;NCGC00385195-01;3-[(2-O-Hexopyranosylhexopyranosyl)oxy]-14-hydroxycarda-5,20(22)-dienolide;NCGC00385195-01_C35H52O14_Carda-5,20(22)-dienolide, 3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-14-hydroxy-, (3beta)-
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CAS No:
Computed Properties
Molecular Weight:696.8
XLogP3:-0.7
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:7
Exact Mass:696.33570633
Monoisotopic Mass:696.33570633
Topological Polar Surface Area:225
Heavy Atom Count:49
Complexity:1320
Defined Atom Stereocenter Count:17
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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