DELTAMYCIN A3

58880-24-3

MFCD01716263

C41 H65 N O16

827.956

InChI=1S/C41H65NO16/c1-11-12-31(46)56-39-24(5)52-33(20-41(39,7)49)57-36-23(4)53-40(35(48)34(36)42(8)9)58-37-26(15-16-43)17-21(2)27(45)13-14-28-29(55-28)18-22(3)51-32(47)19-30(38(37)50-10)54-25(6)44/h13-14,16,21-24,26,28-30,33-40,48-49H,11-12,15,17-20H2,1-10H3/b14-13+/t21-,22-,23-,24+,26+,28+,29+,30-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1

InChIKey=UHJLHWLKXDXMHZ-JZVHHWOMSA-N

CCCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)O)O[C@H]3[C@H](C[C@H](C(=O)/C=C/[C@H]4[C@@H](O4)C[C@H](OC(=O)C[C@H]([C@@H]3OC)OC(=O)C)C)C)CC=O)C)C

H bond donor:2

H bond acceptor:17

XLogP3:1.0

Bulk/Fine:F