Plantamajoside

Catalog	BBC104777686
CAS	104777-68-6
Structure
Synonyms	2-(3,4-Dihydroxyphenyl)ethyl3-O-beta-D-glucopyranosyl-beta-D-glucopyranoside4-(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate
IUPAC Name	[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Weight	640.59
Molecular Formula	C29H36O16
Canonical SMILES	C1=CC(=C(C=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
InChI	InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2/b6-3+/t19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1
InChI Key	KFEFLPDKISUVNR-QJEHNBJNSA-N
Purity	98%
Density	1.66 g/ml
Appearance	White powder
pKa	9.31±0.10