
 CHEMBL262052

121124  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL262052

>  <PubChem CID>
44380610

>  <Formula>
C39H69NO12

>  <Molecular Weight>
743.976000

>  <IUPAC Name>
(2R,3R,4S,11R,12S)-5-ethyl-11-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-3-hydroxy-9-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
13

>  <Canonical SMILES>
CCC1C(C(C(C2=C(CC(O2)(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)CC)O)C)C)C)O)(C)OC

>  <Isomeric SMILES>
CCC1[C@@]([C@@H]([C@H](C2=C(C[C@](O2)([C@@H](C(C(C(C(=O)O1)C)O[C@H]3C[C@@]([C@H](C(O3)C)O)(C)OC)C)OC4[C@@H](C(CC(O4)C)N(C)CC)O)C)C)C)O)(C)OC

>  <InChI Std. ID>
InChI=1S/C39H69NO12/c1-15-27-39(11,46-14)32(42)22(5)30-20(3)18-38(10,52-30)34(51-36-29(41)26(40(12)16-2)17-21(4)47-36)23(6)31(24(7)35(44)49-27)50-28-19-37(9,45-13)33(43)25(8)48-28/h21-29,31-34,36,41-43H,15-19H2,1-14H3/t21?,22-,23?,24?,25?,26?,27?,28-,29+,31?,32+,33-,34+,36?,37+,38-,39+/m0/s1

>  <InChI Key>
CVLATSXSEILGTD-DTZOFTIGSA-N

