InChI: |
1S/C42H62O16.H3N.3H2O/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1H3;3*1H2/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;;;/m0..../s1 |
InChIKey: |
RSPXVECNDMCBGQ-YMYWBCTMSA-N |
|
H donor: |
12 |
H acceptor: |
20 |
Rotatable bond: |
7 |
Stereocenter: |
19 |
|
cLogP: |
0.315 |
cLogS: |
-5.144 |
Polar surface: |
294.73 |
|