raphanusol A

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IUPAC Name :[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-phenylprop-2-enoate
InChI :InChI=1/C30H34O13/c31-15-19-23(34)24(35)26(37)29(40-19)39-16-20-28(42-21(32)13-11-17-7-3-1-4-8-17)25(36)27(38)30(41-20)43-22(33)14-12-18-9-5-2-6-10-18/h1-14,19-20,23-31,34-38H,15-16H2/b13-11+,14-12+/t19-,20-,23-,24+,25-,26-,27-,28-,29-,30+/m1/s1
Std.InChI: InChI=1S/C30H34O13/c31-15-19-23(34)24(35)26(37)29(40-19)39-16-20-28(42-21(32)13-11-17-7-3-1-4-8-17)25(36)27(38)30(41-20)43-22(33)14-12-18-9-5-2-6-10-18/h1-14,19-20,23-31,34-38H,15-16H2/b13-11+,14-12+/t19-,20-,23-,24+,25-,26-,27-,28-,29-,30+/m1/s1
InChIKey :GEJSQTZLGKFYED-DWHDMTHEBF
Std.InChIKey: GEJSQTZLGKFYED-DWHDMTHESA-N
SMILES :C1=CC=C(C=C1)/C=C/C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC(=O)/C=C/C3=CC=CC=C3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Molar Refractivity :148.48 ± 0.4 cm3 (est)
Parachor :1208.7 ± 6.0 cm3 (est)
Index of Refraction :1.654 ± 0.03 (est)
Surface Tension :79.3 ± 5.0 dyne/cm (est)
Density :1.48 ± 0.1 g/cm3 (est)
Polarizability :58.86 ± 0.5 10-24cm3 (est)