Cadambine
-
Cadambine
structure -
-
CAS No:
54422-49-0
-
Formula:
C28H34N2O9
-
Chemical Name:
Cadambine
-
Synonyms:
DTXSID70969559;Methyl (1S,17S)-17-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,23-dioxa-3,13-diazahexacyclo[13.7.1.01,13.02,10.04,9.016,21]tricosa-2(10),4,6,8,19-pentaene-20-carboxylate;Methyl 4-(hexopyranosyloxy)-4,4a,5,6,9,14,15,15a-octahydro-8H-5,14b-epoxypyrano[4"",3"":4",5"]azepino[1",2":1,2]pyrido[3,4-b]indole-1-carboxylate
-
CAS No:
Computed Properties
Molecular Weight:544.5
XLogP3:-0.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:544.20569522
Monoisotopic Mass:544.20569522
Topological Polar Surface Area:163
Heavy Atom Count:39
Complexity:998
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes