CIMICIDANOL 3-ARABINOSIDE

161207-05-2

MFCD09752781

C35 H52 O9

616.787

InChI=1S/C35H52O9/c1-17(12-18(36)28-31(4,5)44-28)25-19(37)13-32(6)22-9-8-21-30(2,3)24(43-29-27(41)26(40)20(38)15-42-29)10-11-34(21)16-35(22,34)23(39)14-33(25,32)7/h9,17,20-21,23-29,38-41H,8,10-16H2,1-7H3/t17-,20+,21+,23+,24+,25+,26+,27-,28+,29+,32+,33-,34-,35+/m1/s1

InChIKey=PYBFXJMIKJNNAJ-GZYHAVPISA-N

C[C@H](CC(=O)[C@H]1C(O1)(C)C)[C@H]2C(=O)C[C@@]3([C@@]2(C[C@@H]([C@]45C3=CC[C@@H]6[C@]4(C5)CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O)O)C)C

H bond donor:4

H bond acceptor:9

XLogP3:4.0

Bulk/Fine:F