Scroside B

[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Also Known As: Scroside B|Plantainoside E|((2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(2-(3-hydroxy-4-methoxyphenyl)ethoxy)-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate|[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate|[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate|2-(3-Hydroxy-4-methoxyphenyl)ethyl 6-O-(4-hydroxy-3-methoxycinnamoyl)-3-O-(beta-D-glucopyranosyl)-beta-D-glucopyranoside|2-(3-Hydroxy-4-methoxyphenyl)ethyl 6-O-[(E)-3-(4-hydroxy-3-methoxyphenyl)propenoyl]-3-O-(beta-D-glucopyranosyl)-beta-D-glucopyranoside

Molecular Formula	C31H40O16
Molecular Weight	668.2316 g/mol
LogP	-1.4375
Topological Polar Surface Area	243.52 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	16
Rotatable Bonds	13
Exact Mass	668.2316
Monoisotopic Mass	668.2316
Heavy Atoms	47
Complexity	1350.7992

Chemical Identifiers

CAS Number	211566-91-5
SMILES	COC1=C(C=C(C=C1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)OC)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O