RESPINOMYCIN A1

138843-19-3

MFCD01746223

C51 H72 N2 O20

1033.12

InChI=1S/C51H72N2O20/c1-19-37(58)49(6,61)42(64-12)45(67-19)71-36-27-22(17-48(5,60)41(36)63-11)16-24-28(32(27)55)33(56)29-23(31(24)54)14-15-25-35(29)70-44-34(57)30(53(9)10)40(51(25,8)73-44)69-26-18-47(4,52)39(21(3)66-26)72-46-43(65-13)50(7,62)38(59)20(2)68-46/h14-16,19-21,26,30,34,36-46,55,57-62H,17-18,52H2,1-13H3/t19?,20?,21?,26?,30-,34-,36+,37?,38?,39?,40-,41?,42?,43?,44+,45?,46?,47?,48+,49?,50?,51+/m0/s1

InChIKey=SIBIUPQXDIJVOG-ASNXASNBSA-N

CC1C(C(C(C(O1)O[C@@H]2c3c(cc4c(c3O)C(=O)c5c(ccc6c5O[C@H]7[C@H]([C@@H]([C@@H]([C@@]6(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)C)O)(C)O)OC)(C)N)N(C)C)O)C4=O)C[C@@](C2OC)(C)O)OC)(C)O)O

H bond donor:8

H bond acceptor:22

XLogP3:3.0

Bulk/Fine:F