2'-[O-(β-D-glucopyranosyl)]-tylosin

Chemical Formula:

C₅₂H₈₈NO₂₂

Molecular Weight:

1079.261 Daltons

Monoisotopic Mass:

1078.5797985162 Daltons

SMILES:

CCC1(C(C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(=O)O1)OC4(OC(C)C(OC2(OC(C(O)C(O)(C)C2)C))C([N+](C)C)C(OC3(OC(CO)C(O)C(O)C(O)3))4))COC5(OC(C(O)C(OC)C(OC)5)C))

InChI:

1S/C52H87NO22/c1-13-34-31(23-67-50-47(66-12)46(65-11)39(59)27(5)69-50)18-24(2)14-15-32(56)25(3)19-30(16-17-54)43(26(4)33(57)20-36(58)71-34)74-51-45(75-49-42(62)41(61)40(60)35(22-55)72-49)38(53(9)10)44(28(6)70-51)73-37-21-52(8,64)48(63)29(7)68-37/h14-15,17-18,25-31,33-35,37-51,55,57,59-64H,13,16,19-23H2,1-12H3/p+1/b15-14+,24-18+/t25-,26+,27-,28-,29+,30+,31-,33-,34-,35-,37+,38+,39-,40-,41+,42-,43-,44-,45-,46-,47-,48+,49+,50-,51+,52-/m1/s1

InChIKey:

BWXQUQUEQJXECW-AZKJBOOCSA-O

Databases

MetaCyc: CPD-15959

PubChem (CID): 91820277

MetaNetX: MNXM148615