DELTAMYCIN A2

58880-23-2

MFCD01716260

C40 H63 N O16

813.929

InChI=1S/C40H63NO16/c1-11-30(45)55-38-23(5)51-32(19-40(38,7)48)56-35-22(4)52-39(34(47)33(35)41(8)9)57-36-25(14-15-42)16-20(2)26(44)12-13-27-28(54-27)17-21(3)50-31(46)18-29(37(36)49-10)53-24(6)43/h12-13,15,20-23,25,27-29,32-39,47-48H,11,14,16-19H2,1-10H3/b13-12+/t20-,21-,22-,23+,25+,27+,28+,29-,32+,33-,34-,35-,36+,37+,38+,39+,40-/m1/s1

InChIKey=FXALCAYPJGPQOF-MHIJLYPTSA-N

CCC(=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