InChI: |
1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31?,32?,33?,34?,35?,36?,37?,38?,40?,41-,42+,43+,44-,46+,47?/m0/s1 |
InChIKey: |
VQOXZBDYSJBXMA-QFHUWGMOSA-N |
|
H donor: |
12 |
H acceptor: |
18 |
Rotatable bond: |
31 |
Stereocenter: |
19 |
|
cLogP: |
2.737 |
cLogS: |
-5.305 |
Polar surface: |
319.61 |
|