AC1L4E21

(2R,3S,4R,5R)-3,4,5-trihydroxy-2-[4-hydroxy-3-(hydroxymethyl)-9,10-dioxoanthracen-2-yl]oxy-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyhexanal

Also Known As: D-Glucose, O-(9,10-dihydro-4-hydroxy-3-(hydroxymethyl)-9,10-dioxo-2-anthracenyl)-6-O-beta-D-xylopyranosyl-|(2R,3S,4R,5R)-3,4,5-trihydroxy-2-[4-hydroxy-3-(hydroxymethyl)-9,10-dioxoanthracen-2-yl]oxy-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyhexanal|2-O-[4-hydroxy-3-(hydroxymethyl)-9,10-dioxo-9,10-dihydroanthracen-2-yl]-6-O-beta-D-xylopyranosyl-D-glucose|2-O-[4-Hydroxy-3-(hydroxymethyl)-9,10-dioxo-9,10-dihydroanthracen-2-yl]-6-O-pentopyranosylhexose

Molecular Formula	C26H28O14
Molecular Weight	564.1479 g/mol
LogP	-2.4
Topological Polar Surface Area	241.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	14
Rotatable Bonds	10
Exact Mass	564.1479
Monoisotopic Mass	564.1479
Heavy Atoms	40
Complexity	901.0

Chemical Identifiers

CAS Number	69682-31-1
SMILES	C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)OC2=C(C(=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)O)CO)O)O)O)O)O)O
InChIKey	QFJAVTYNFSPPPH-XOYCKOBWSA-N