IUPAC Name :(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,11R,12aR,14aR,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,14b-pentamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
InChI :InChI=1/C41H64O15/c1-37-11-8-19(33(49)50)16-21(37)20-6-7-24-38(2)12-10-25(39(3,18-43)23(38)9-13-41(24,5)40(20,4)15-14-37)54-36-32(29(47)28(46)31(55-36)34(51)52)56-35-30(48)27(45)26(44)22(17-42)53-35/h6,19,21-32,35-36,42-48H,7-18H2,1-5H3,(H,49,50)(H,51,52)/t19-,21+,22-,23-,24-,25+,26-,27+,28+,29+,30-,31+,32-,35+,36-,37-,38+,39-,40-,41-/m1/s1
Std.InChI: InChI=1S/C41H64O15/c1-37-11-8-19(33(49)50)16-21(37)20-6-7-24-38(2)12-10-25(39(3,18-43)23(38)9-13-41(24,5)40(20,4)15-14-37)54-36-32(29(47)28(46)31(55-36)34(51)52)56-35-30(48)27(45)26(44)22(17-42)53-35/h6,19,21-32,35-36,42-48H,7-18H2,1-5H3,(H,49,50)(H,51,52)/t19-,21+,22-,23-,24-,25+,26-,27+,28+,29+,30-,31+,32-,35+,36-,37-,38+,39-,40-,41-/m1/s1
InChIKey :GCYPTUCZEKQTKJ-BAPFWQMPBL
Std.InChIKey: GCYPTUCZEKQTKJ-BAPFWQMPSA-N
SMILES :C[C@]12CC[C@H](C[C@H]1C3=CC[C@@H]4[C@]5(CC[C@@H]([C@]([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C(=O)O
Molar Refractivity :198.01 ± 0.4 cm3 (est)
Parachor :1645.8 ± 6.0 cm3 (est)
Index of Refraction :1.624 ± 0.03
(est)
Surface Tension :74.2 ± 5.0 dyne/cm (est)
Density :1.42 ± 0.1 g/cm3 (est)
Polarizability :78.49 ± 0.5 10-24cm3 (est)