Khasianine

(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Also Known As: Khasianine|KST-1A3892|L-Rhamnopyranosyl-14-D-glucopyranose solasodine|(3|A,25r)-spirosol-5-en-3-yl 4-o-(6-deoxy-|A-d-glucopyranosyl)-|A-l-mannopyranoside|(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(5'R)-5'-tetramethylspiro[[?]-2,2'-piperidine]yl]oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol|.beta.-D-Glucopyranoside, (3.beta.,22.alpha.,25R)-spirosol-5-en-3-yl4-O-(6-deoxy-.alpha.-L-mannopyranosyl)-|beta-D-Glucopyranoside, (3beta,22alpha,25R)-spirosol-5-en-3-yl 4-O-(6-deoxy-alpha-L-mannopyranosyl)-

Molecular Formula	C39H63NO11
Molecular Weight	721.4401 g/mol
LogP	1.96
Topological Polar Surface Area	179.56 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	5
Exact Mass	721.4401
Heavy Atoms	51
Complexity	1307.5

Chemical Identifiers

CAS Number	32449-98-2
SMILES	C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C)O)O)O)O)O)C)C)C)NC1