BETACLAMYCIN A

76264-95-4

MFCD01713138

C40 H51 N O15

785.835

InChI=1S/C40H51NO15/c1-7-40(50)15-24(29-32(39(40)49)36(48)30-31(35(29)47)34(46)28-19(33(30)45)9-8-10-22(28)43)54-26-13-20(41(5)6)37(17(3)52-26)56-27-14-23(44)38(18(4)53-27)55-25-12-11-21(42)16(2)51-25/h8-10,16-18,20,23-27,37-39,43-44,47-50H,7,11-15H2,1-6H3/t16-,17-,18-,20-,23-,24-,25-,26-,27-,37+,38+,39+,40+/m0/s1

InChIKey=OIAHYVPTZYBBFB-QHVYVKIGSA-N

CC[C@]1(C[C@@H](c2c(c(c3c(c2O)C(=O)c4c(cccc4O)C3=O)O)[C@H]1O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O

H bond donor:6

H bond acceptor:16

XLogP3:4.0

Bulk/Fine:F