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Home > Encyclopedia > NCGC00385195-01

NCGC00385195-01

NCGC00385195-01 structure

NCGC00385195-01 

structure
  • CAS No:

    31387-88-9

  • Formula:

    C35H52O14

  • Chemical Name:

    NCGC00385195-01

  • 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)-

NCGC00385195-01 Basic Attributes

696.8 g/mol

696.33570633 g/mol

Characteristics

225 Ų

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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