Helicianeoide A

The CAS register number of Helicianeoide A is 496066-82-1. The systematic name about this chemical is 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one. The molecular formula about this chemical is C₃₂H₃₈O₁₉ and the molecular weight is 726.64232.

Physical properties about Helicianeoide A are: (1)# of Rule of 5 Violations: 3; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 8.583; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 19; (7)#H bond donors: 11; (8)#Freely Rotating Bonds: 19; (9)Polar Surface Area: 304.21 Å²; (10)Index of Refraction: 1.74; (11)Molar Refractivity: 164.221 cm³; (12)Molar Volume: 407.308 cm³; (13)Polarizability: 65.102x10^-24cm³; (14)Surface Tension: 117.176 dyne/cm; (15)Density: 1.784 g/cm³; (16)Flash Point: 337.239 °C; (17)Enthalpy of Vaporization: 162.928 kJ/mol; (18)Boiling Point: 1061.831 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)Oc2c(=O)c3c(cc(cc3oc2c4ccc(cc4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)O)O)O)O
(2)InChI: InChI=1/C32H38O19/c1-10-19(37)24(42)29(51-31-26(44)23(41)21(39)17(49-31)9-46-30-25(43)20(38)15(36)8-45-30)32(47-10)50-28-22(40)18-14(35)6-13(34)7-16(18)48-27(28)11-2-4-12(33)5-3-11/h2-7,10,15,17,19-21,23-26,29-39,41-44H,8-9H2,1H3/t10-,15+,17+,19-,20-,21+,23-,24+,25+,26+,29+,30-,31-,32-/m0/s1
(3)InChIKey: IJTSOAGIKDWSEB-UYNSXLGHBM
(4)Std. InChI: InChI=1S/C32H38O19/c1-10-19(37)24(42)29(51-31-26(44)23(41)21(39)17(49-31)9-46-30-25(43)20(38)15(36)8-45-30)32(47-10)50-28-22(40)18-14(35)6-13(34)7-16(18)48-27(28)11-2-4-12(33)5-3-11/h2-7,10,15,17,19-21,23-26,29-39,41-44H,8-9H2,1H3/t10-,15+,17+,19-,20-,21+,23-,24+,25+,26+,29+,30-,31-,32-/m0/s1
(5)Std. InChIKey: IJTSOAGIKDWSEB-UYNSXLGHSA-N