IUPAC Name :17-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-4,4,8,10-tetramethyl-3-(3,4,5-trihydroxyoxan-2-yl)oxy-14-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
InChI :InChI=1/C46H76O18/c1-41(2,57)13-8-14-45(7,58)30-22-9-10-28-43(5)15-12-29(64-39-36(55)32(51)25(49)19-60-39)42(3,4)27(43)11-16-44(28,6)46(22,17-23(30)47)21-62-40-37(56)34(53)33(52)26(63-40)20-61-38-35(54)31(50)24(48)18-59-38/h8,13,22,24-40,48-58H,9-12,14-21H2,1-7H3/b13-8+
Std.InChI: InChI=1S/C46H76O18/c1-41(2,57)13-8-14-45(7,58)30-22-9-10-28-43(5)15-12-29(64-39-36(55)32(51)25(49)19-60-39)42(3,4)27(43)11-16-44(28,6)46(22,17-23(30)47)21-62-40-37(56)34(53)33(52)26(63-40)20-61-38-35(54)31(50)24(48)18-59-38/h8,13,22,24-40,48-58H,9-12,14-21H2,1-7H3/b13-8+
InChIKey :RDSYZBZVCGNHLV-MDWZMJQEBZ
Std.InChIKey: RDSYZBZVCGNHLV-MDWZMJQESA-N
SMILES :CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)O)O)O)C)CCC5C3(CC(=O)C5C(C)(C/C=C/C(C)(C)O)O)COC6C(C(C(C(O6)COC7C(C(C(CO7)O)O)O)O)O)O)C)C
Molar Refractivity :227.76 ± 0.4 cm3 (est)
Parachor :1909.6 ± 6.0 cm3 (est)
Index of Refraction :1.615 ± 0.03
(est)
Surface Tension :73.5 ± 5.0 dyne/cm (est)
Density :1.40 ± 0.1 g/cm3 (est)
Polarizability :90.29 ± 0.5 10-24cm3 (est)