InChI: |
1S/C63H110O45/c1-19(67)9-88-14-27-51-38(78)46(86)62(99-27)108-55-31(18-92-13-23(5)71)100-63(47(87)39(55)79)107-54-30(17-91-12-22(4)70)97-60(44(84)36(54)76)103-50-26(8-66)95-58(42(82)34(50)74)105-52-28(15-89-10-20(2)68)98-61(45(85)37(52)77)106-53-29(16-90-11-21(3)69)96-59(43(83)35(53)75)102-49-25(7-65)93-56(40(80)32(49)72)101-48-24(6-64)94-57(104-51)41(81)33(48)73/h19-87H,6-18H2,1-5H3/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32-,33-,34-,35-,36-,37-,38-,39-,40?,41?,42?,43?,44?,45?,46?,47?,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m1/s1 |
InChIKey: |
SYRUEUHBRJCPED-HWJMFGMVSA-N |
|
H donor: |
24 |
H acceptor: |
45 |
Rotatable bond: |
39 |
Stereocenter: |
45 |
|
cLogP: |
-12.62 |
cLogS: |
0.374 |
Polar surface: |
679.35 |
|