neolicuroside

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IUPAC Name :(E)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
InChI :InChI=1/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+/t19-,20-,21+,22-,23+,24-,25+,26-/m1/s1
Std.InChI: InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+/t19-,20-,21+,22-,23+,24-,25+,26-/m1/s1
InChIKey :VMMVZVPAYFZNBM-KVFWHIKKBQ
Std.InChIKey: VMMVZVPAYFZNBM-KVFWHIKKSA-N
SMILES :C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC=C(C=C3)/C=C/C(=O)C4=C(C=C(C=C4)O)O)CO)O)O)O)(CO)O
MDL: MFCD20487832
Molar Refractivity :131.31 ± 0.4 cm3 (est)
Parachor :1066.3 ± 6.0 cm3 (est)
Index of Refraction :1.709 ± 0.03 (est)
Surface Tension :100.9 ± 5.0 dyne/cm (est)
Density :1.63 ± 0.1 g/cm3 (est)
Polarizability :52.05 ± 0.5 10-24cm3 (est)