InChI: |
1S/C63H98N14O14S/c1-10-35(6)38(9)63-75-48(32-92-63)60(89)71-44(27-34(4)5)57(86)69-43(23-24-49(78)79)56(85)77-51(36(7)11-2)61(90)70-41-21-16-17-26-66-53(82)47(30-50(80)81)73-59(88)46(29-40-31-65-33-67-40)72-58(87)45(28-39-19-14-13-15-20-39)74-62(91)52(37(8)12-3)76-55(84)42(22-18-25-64)68-54(41)83/h13-15,19-20,31,33-38,41-48,51-52H,10-12,16-18,21-30,32,64H2,1-9H3,(H,65,67)(H,66,82)(H,68,83)(H,69,86)(H,70,90)(H,71,89)(H,72,87)(H,73,88)(H,74,91)(H,76,84)(H,77,85)(H,78,79)(H,80,81)/t35?,36?,37?,38?,41?,42-,43-,44?,45-,46?,47-,48?,51?,52?/m1/s1 |
InChIKey: |
UMERHSCYDIHODR-MUCBZBDISA-N |
|
H donor: |
14 |
H acceptor: |
28 |
Rotatable bond: |
29 |
Stereocenter: |
14 |
|
cLogP: |
0.101 |
cLogS: |
-6.657 |
Polar surface: |
457.96 |
|