InChI: |
1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37+,38?,39-,42+,43-,44-,45+,46+;/m1./s1 |
InChIKey: |
KDQAABAKXDWYSZ-GUGVXXOWSA-N |
|
H donor: |
5 |
H acceptor: |
17 |
Rotatable bond: |
10 |
Stereocenter: |
9 |
|
cLogP: |
-0.573 |
cLogS: |
-3.025 |
Polar surface: |
237.08 |
|