Passicapsin

(1S,4S)-4-[(2S,4S,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile

Also Known As: Passicapsin|KST-1A8683|(1s,4s)-4-[(2,6-dideoxy-|A-d-xylo-hexopyranosyl)oxy]-1-(|A-d-glucopyranosyloxy)cyclopent-2-ene-1-carbonitrile|(1S,4S)-4-[(2S,4S,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile|1-(glucopyranosyloxy)-4-(2,6-dideoxyhexopyranosyloxy)-2-cyclopentene-1-carbonitrile|1-(Glucopyranosyloxy)-4-(2,6-dideoxyhexopyranosyloxy)-2-cylcopentene-1-carbonitrile|4-[(2,6-Dideoxyhexopyranosyl)oxy]-1-(hexopyranosyloxy)cyclopent-2-ene-1-carbonitrile|(1S,4S)-4-[(2,6-Dideoxy-alpha-D-xylo-hexopyranosyl)oxy]-1-(beta-D-glucopyranosyloxy)cyclopent-2-ene-1-carbonitrile|2-Cyclopentene-1-carbonitrile, 4-((2,6-dideoxy-beta-D-xylo-hexopyranosyl)oxy)-1-(beta-D-glucopyranosyloxy)-, (1S-cis)-

Molecular Formula	C18H27NO10
Molecular Weight	417.16348 g/mol
LogP	-2.4
Topological Polar Surface Area	182.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	417.16348
Monoisotopic Mass	417.16348
Heavy Atoms	29
Complexity	652.0

Chemical Identifiers

CAS Number	87910-72-3
SMILES	C[C@@H]1[C@@H]([C@H](C[C@H](O1)O[C@H]2C[C@](C=C2)(C#N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChIKey	KQTRNMODDGXNSU-OASXGSIPSA-N