Antibiotic X 206

(2R)-2-[(2S,3S,6R)-6-[(2R,3S)-3-[(5S,6R)-6-[[(2R,3S,5R,6R)-6-[[(5R)-5-[(2R,3R,5S)-5-[(2R,5R,6S)-6-ethyl-5-hydroxy-5-methyloxan-2-yl]-2-hydroxy-3,5-dimethyloxolan-2-yl]-5-methyloxolan-2-yl]-hydroxymethyl]-6-hydroxy-3,5-dimethyloxan-2-yl]methyl]-6-hydroxy-5-methyloxan-2-yl]-2-hydroxybutyl]-3-methyloxan-2-yl]propanoic acid

Also Known As: Antibiotic X 206|Xylidyl blue I|KST-1A4714|KST-1A4715|X-206|(2R)-2-[(2S,3S,6R)-6-[(2R,3S)-3-[(5S,6R)-6-[[(2R,3S,5R,6R)-6-[[(5R)-5-[(2R,3R,5S)-5-[(2R,5R,6S)-6-ethyl-5-hydroxy-5-methyloxan-2-yl]-2-hydroxy-3,5-dimethyloxolan-2-yl]-5-methyloxolan-2-yl]-hydroxymethyl]-6-hydroxy-3,5-dimethyloxan-2-yl]methyl]-6-hydroxy-5-methyloxan-2-yl]-2-hydroxybutyl]-3-methyloxan-2-yl]propanoic acid|(2r)-2-[(2s,3s,6r)-6-{(2r,3s)-3-[(5s,6r)-6-({(2r,3s,5r,6r)-6-[{(2r,2'r,3'r,5's)-5'-[(2r,5r,6s)-6-ethyl-5-hydroxy-5-methyltetrahydro-2h-pyran-2-yl]-2'-hydroxy-2,3',5'-trimethyloctahydro-2,2'-bifuran-5-yl}(hydroxy)methyl]-6-hydroxy-3,5-dimethyltetrahydro-2h-pyran-2-yl}methyl)-6-hydroxy-5-methyltetrahydro-2h-pyran-2-yl]-2-hydroxybutyl}-3-methyltetrahydro-2h-pyran-2-yl]propanoic acid(non-preferred name)

Molecular Formula	C47H82O14
Molecular Weight	870.57043 g/mol
LogP	5.2
Topological Polar Surface Area	214.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	14
Rotatable Bonds	13
Exact Mass	870.57043
Monoisotopic Mass	870.57043
Heavy Atoms	61
Complexity	1520.0

Chemical Identifiers

CAS Number	41241-46-7
SMILES	CC[C@H]1[C@](CC[C@@H](O1)[C@@]2(C[C@H]([C@@](O2)([C@]3(CCC(O3)C([C@]4([C@@H](C[C@@H]([C@H](O4)C[C@@]5([C@H](CCC(O5)[C@@H](C)[C@@H](C[C@H]6CC[C@@H]([C@H](O6)[C@@H](C)C(=O)O)C)O)C)O)C)C)O)O)C)O)C)C)(C)O
InChIKey	XSBSGLXIQBCTKN-FJPBPKHESA-N