Aloe resin A

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

Also Known As: Aloeresin A|Aloe resin A|Aloeresin A [MI]|2''-O-p-Coumaroylaloesin|HY-N7219|[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate|4H-1-Benzopyran-4-one, 7-hydroxy-8-(2-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl)-5-methyl-2-(2-oxopropyl)-|7-Hydroxy-8-(2-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl)-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one|[4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo|(2S,3R,4S,5S,6R)-4,5-Dihydroxy-2-(7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxyphenyl)acrylate|((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl)oxan-3-yl) (E)-3-(4-hydroxyphenyl)prop-2-enoate|(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate|[4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate|2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2'-ester with 8-beta-D-glucopyranosyl-7-hydroxy-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one, (E)-|4H-1-BENZOPYRAN-4-ONE, 7-HYDROXY-8-(2-O-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-.BETA.-D-GLUCOPYRANOSYL)-5-METHYL-2-(2-OXOPROPYL)-|7-HYDROXY-8-(2-O-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-.BETA.-D-GLUCOPYRANOSYL)-5-METHYL-2-(2-OXOPROPYL)-4H-1-BENZOPYRAN-4-ONE|8-[2-O-(4-Hydroxy-trans-cinnamoyl)-beta-D-glucopyranosyl]-2-(2-oxopropyl)-7-hydroxy-5-methyl-4H-1-benzopyran-4-one|8-[2-O-[(E)-3-(4-Hydroxyphenyl)acryloyl]-beta-D-glucopyranosyl]-7-hydroxy-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one

Molecular Formula	C28H28O11
Molecular Weight	540.16315 g/mol
LogP	1.42332
Topological Polar Surface Area	183.96 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	7
Exact Mass	540.16315
Monoisotopic Mass	540.16315
Heavy Atoms	39
Complexity	1471.593

Chemical Identifiers

CAS Number	74545-79-2
SMILES	CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O