DELTAMYCIN A1

58880-22-1

MFCD01716261

C39 H61 N O16

799.902

InChI=1S/C39H61NO16/c1-19-15-25(13-14-41)35(36(48-10)29(52-23(5)42)17-30(45)49-20(2)16-28-27(54-28)12-11-26(19)44)56-38-33(46)32(40(8)9)34(21(3)51-38)55-31-18-39(7,47)37(22(4)50-31)53-24(6)43/h11-12,14,19-22,25,27-29,31-38,46-47H,13,15-18H2,1-10H3/b12-11+/t19-,20-,21-,22+,25+,27+,28+,29-,31+,32-,33-,34-,35+,36+,37+,38+,39-/m1/s1

InChIKey=BSLHJKFVBDZBEO-YYLGYWGFSA-N

C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](C[C@H]2[C@@H](O2)/C=C/C1=O)C)OC(=O)C)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)OC(=O)C)(C)O)N(C)C)O)CC=O

H bond donor:2

H bond acceptor:17

XLogP3:0.0

Bulk/Fine:F