basellasaponin D

Right Click Jmol Molecule For More Options. Jmol is a free download found Here.
InChI :InChI=1/C47H68O22/c1-41(2)23-9-12-45(6)24(43(23,4)11-10-25(41)65-36-30(54)31-32(33(66-36)34(55)56)69-47(62,38(59)60)40(67-31)63-19-26(49)50)8-7-20-21-17-42(3,37(57)58)13-15-46(21,16-14-44(20,45)5)39(61)68-35-29(53)28(52)27(51)22(18-48)64-35/h7,21-25,27-33,35-36,40,48,51-54,62H,8-19H2,1-6H3,(H,49,50)(H,55,56)(H,57,58)(H,59,60)/t21-,22+,23-,24+,25-,27+,28-,29+,30+,31+,32-,33-,35-,36+,40-,42+,43-,44+,45+,46-,47-/m0/s1
Std.InChI: InChI=1S/C47H68O22/c1-41(2)23-9-12-45(6)24(43(23,4)11-10-25(41)65-36-30(54)31-32(33(66-36)34(55)56)69-47(62,38(59)60)40(67-31)63-19-26(49)50)8-7-20-21-17-42(3,37(57)58)13-15-46(21,16-14-44(20,45)5)39(61)68-35-29(53)28(52)27(51)22(18-48)64-35/h7,21-25,27-33,35-36,40,48,51-54,62H,8-19H2,1-6H3,(H,49,50)(H,55,56)(H,57,58)(H,59,60)/t21-,22+,23-,24+,25-,27+,28-,29+,30+,31+,32-,33-,35-,36+,40-,42+,43-,44+,45+,46-,47-/m0/s1
InChIKey :XRPQKQDVGUZFQR-FHMBDKRWBB
Std.InChIKey: XRPQKQDVGUZFQR-FHMBDKRWSA-N
SMILES :C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@@H]7[C@@H]([C@H](O6)C(=O)O)O[C@]([C@H](O7)OCC(=O)O)(C(=O)O)O)O)C)C)[C@@H]2C1)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C(=O)O
Molar Refractivity :230.87 ± 0.4 cm3 (est)
Parachor :1942.9 ± 6.0 cm3 (est)
Index of Refraction :1.637 ± 0.03 (est)
Surface Tension :83.3 ± 5.0 dyne/cm (est)
Density :1.53 ± 0.1 g/cm3 (est)
Polarizability :91.52 ± 0.5 10-24cm3 (est)