VIRUSTOMYCIN A

84777-85-5

MFCD01939509

C48 H71 N O14

886.082

InChI=1S/C48H71NO14/c1-12-15-36-30(7)39(61-41(53)21-20-40(52)49-42-34(50)18-19-35(42)51)25-48(58,63-36)32(9)45(56)31(8)46-37(59-10)17-14-16-26(3)22-28(5)43(54)33(13-2)44(55)29(6)23-27(4)24-38(60-11)47(57)62-46/h12,14-17,20-21,23-24,28-33,36-37,39,43-46,50,54-56,58H,13,18-19,22,25H2,1-11H3,(H,49,52)/b15-12+,17-14+,21-20+,26-16+,27-23+,38-24-/t28-,29-,30-,31+,32+,33+,36-,37+,39-,43+,44-,45-,46-,48-/m1/s1

InChIKey=YIKWIQAIKGWYCF-ACOKZJPPSA-N

CC[C@H]1[C@H]([C@@H](C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)/C=C/C)C)OC(=O)/C=C/C(=O)NC3=C(CCC3=O)O)O)O)OC)/C)C)O

H bond donor:6

H bond acceptor:15

XLogP3:4.0

Bulk/Fine:F