F-en-RAXGG

(1R,2S,4S,6R,7S,8R,9S,12S,13S,16R,18S)-16-[(2S,3R,4S,5S,6R)-4-hydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-15-one

Also Known As: F-en-Raxgg|F-Raxgg|KST-1A2410|6a-methyltetrahydrofuro[2,3-b]furan-2(3h)-one|(1R,2S,4S,6R,7S,8R,9S,12S,13S,16R,18S)-16-[(2S,3R,4S,5S,6R)-4-Hydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-15-one|(3|A,5|A,22r,25r)-26-(|A-d-glucopyranosyloxy)-22-methoxy-2-oxofurostan-3-yl |A-l-arabinopyranosyl-(1->2)-[|A-d-xylopyranosyl-(1->3)]-|A-d-glucopyranosyl-(1->4)-[6-deoxy-|A-l-mannopyranosyl-(1->2)]-|A-d-glucopyranoside|3-Hydroxy-22-methoxy-26-O-glucopyranosyloxy-furost-25(27)-en-2-one-3-O-(O-rhamnopyranosyl-(1-2)-O-(O-arabinopyranosyl-(1-2)-O-(xylopyranosyl-(1-3))-glucopyranosyl-(1-4))galactopyranoside)|3beta-Hydroxy-22alpha-methoxy-26-O-beta-D-glucopyranosyloxy-5alpha-furost-25(27)-en-2-one-3-O-(O-alpha-L-rhamnopyranosyl(1-2)-O-(O-alpha-L-arabinopyranosyl(1-2)-O-(beta-D-xylopyranosyl(1-3))-beta-D-glucopyranosyl(1-4))-beta-D-galactopyranoside)

Molecular Formula	C62H102O32
Molecular Weight	1358.6354 g/mol
LogP	-4.4
Topological Polar Surface Area	490.0 Ų
Hydrogen Bond Donors	17
Hydrogen Bond Acceptors	32
Rotatable Bonds	20
Exact Mass	1358.6354
Monoisotopic Mass	1358.6354
Heavy Atoms	94
Complexity	2500.0

Chemical Identifiers

CAS Number	19341-46-9
SMILES	C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC(=O)[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC
InChIKey	HCDDAJCHPRFUKB-YFFWWRDVSA-N