Erigeside I

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-oxopyran-3-yl)oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Also Known As: Erigeside I|ErigesideI|6'-O-Caffeoylerigeroside|6'-O-caffeoylerigoside|6-O-Caffeoylerigoside|6-O-Caffeoylerigeroside|6/'-O-Caffeoylerigoside|HY-N8042|8035AH|NP5349|[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-oxopyran-3-yl)oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate|6 inverted exclamation mark -O-CAFFEOYLERIGEROSIDE|4-[(2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]-2-(METHOXYCARBONYL)]ETHYL]PHENYLBORONIC ACID|((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((4-oxo-4H-pyran-3-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl (E)-3-(3,4-dihydroxyphenyl)acrylate|((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-oxopyran-3-yl)oxyoxan-2-yl)methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate|6'-Caffeoylerigeroside, 3-[[6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-pyran-4-one

Molecular Formula	C20H20O11
Molecular Weight	436.10056 g/mol
LogP	-0.506
Topological Polar Surface Area	176.12 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	6
Exact Mass	436.10056
Monoisotopic Mass	436.10056
Heavy Atoms	31
Complexity	998.6158

Chemical Identifiers

CAS Number	224824-74-2
SMILES	C1=CC(=C(C=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=COC=CC3=O)O)O)O)O)O