AC1L4S0B

(1S,2S,4R,5S)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol

Also Known As: Sid 768671|KST-1A5879|J1.408.948I|(1S,2S,4R,5S)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol|(2s,3r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl 6-o-|A-d-galactopyranosyl-|A-d-galactopyranoside|2,3,4,5,6-Pentahydroxycyclohexyl 6-O-hexopyranosylhexopyranoside|3-O-(6-O-alpha-D-Galactopyranosyl-alpha-D-galactopyranosyl)-D-myo-inositol|1-O-(6-O-(alpha-D-Galactopyranosyl)-alpha-D-galactopyranosyl)-L-myo-inositol|D-Myo-inositol, O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-3)-|O-alpha-D-Galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-1L)-myo-inositol|(1S,2R,3R,4S,5S)-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol|(2S,3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 6-O-alpha-D-galactopyranosyl-alpha-D-galactopyranoside

Molecular Formula	C18H32O16
Molecular Weight	504.16904 g/mol
LogP	-7.4
Topological Polar Surface Area	280.0 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	16
Rotatable Bonds	6
Exact Mass	504.16904
Monoisotopic Mass	504.16904
Heavy Atoms	34
Complexity	639.0

Chemical Identifiers

CAS Number	54576-75-9
SMILES	C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC3[C@H]([C@H](C([C@H]([C@@H]3O)O)O)O)O)O)O)O)O)O)O)O
InChIKey	MWNCPUNLDATDBW-WHZDOWDSSA-N