IUPAC Name :3-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-trihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
InChI :InChI=1/C35H54O14/c1-16-30(49-31-29(42)28(41)27(40)23(14-36)48-31)21(37)11-25(46-16)47-18-4-7-32(2)26-20(5-8-34(32,43)12-18)35(44)9-6-19(17-10-24(39)45-15-17)33(35,3)13-22(26)38/h10,16,18-23,25-31,36-38,40-44H,4-9,11-15H2,1-3H3/t16-,18+,19-,20-,21+,22-,23-,25+,26-,27-,28+,29-,30-,31+,32-,33-,34+,35+/m1/s1
Std.InChI: InChI=1S/C35H54O14/c1-16-30(49-31-29(42)28(41)27(40)23(14-36)48-31)21(37)11-25(46-16)47-18-4-7-32(2)26-20(5-8-34(32,43)12-18)35(44)9-6-19(17-10-24(39)45-15-17)33(35,3)13-22(26)38/h10,16,18-23,25-31,36-38,40-44H,4-9,11-15H2,1-3H3/t16-,18+,19-,20-,21+,22-,23-,25+,26-,27-,28+,29-,30-,31+,32-,33-,34+,35+/m1/s1
InChIKey :AYNLZHBTPQZZSO-VUSDBYIUBU
Std.InChIKey: AYNLZHBTPQZZSO-VUSDBYIUSA-N
SMILES :C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
Molar Refractivity :170.33 ± 0.4 cm3 (est)
Parachor :1409.3 ± 6.0 cm3 (est)
Index of Refraction :1.635 ± 0.03
(est)
Surface Tension :77.0 ± 5.0 dyne/cm (est)
Density :1.46 ± 0.1 g/cm3 (est)
Polarizability :67.52 ± 0.5 10-24cm3 (est)