BUTIROSIN A SULFATE

53448-69-4

MFCD01742986

C21 H41 N5 O12 . H2 O4 S

653.656

InChI=1S/C21H41N5O12.H2O4S/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21;1-5(2,3)4/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34);(H2,1,2,3,4)/t6-,7+,8-,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-;/m0./s1

InChIKey=DCBQXUQGFKXMKS-MIWXLSRBSA-N

C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N.OS(=O)(=O)O

H bond donor:12

H bond acceptor:17

XLogP3:-10.0

Bulk/Fine:F