(3S,4R,5R,6R)-6-[(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[(1R,2R,3S,5R,6S)-2-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(4-methylpentylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(4-methylpentylamino)-6-oxidanyl-cyclohexyl]oxy-4-oxidanyl-oxolan-3-yl]oxy-5-(4-methylpentylamino)-2-[(4-methylpentylamino)methyl]oxane-3,4-diol

Systemtic Name: (3S,4R,5R,6R)-6-[(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[(1R,2R,3S,5R,6S)-2-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(4-methylpentylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(4-methylpentylamino)-6-oxidanyl-cyclohexyl]oxy-4-oxidanyl-oxolan-3-yl]oxy-5-(4-methylpentylamino)-2-[(4-methylpentylamino)methyl]oxane-3,4-diol Openeye Name: (3S,4R,5R,6R)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(isohexylamino)tetrahydropyran-2-yl]oxy-6-hydroxy-3,5-bis(isohexylamino)cyclohexoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-5-(isohexylamino)-2-[(isohexylamino)methyl]tetrahydropyran-3,4-diol CAS Name: (3S,4R,5R,6R)-6-[[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(4-methylpentylamino)-2-oxanyl]oxy]-6-hydroxy-3,5-bis(4-methylpentylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy]-5-(4-methylpentylamino)-2-[(4-methylpentylamino)methyl]oxane-3,4-diol IUPAC Name: (3S,4R,5R,6R)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(4-methylpentylamino)oxan-2-yl]oxy-6-hydroxy-3,5-bis(4-methylpentylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-(4-methylpentylamino)-2-[(4-methylpentylamino)methyl]oxane-3,4-diol Traditional Name: (3S,4R,5R,6R)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-(isohexylamino)-6-methylol-tetrahydropyran-2-yl]oxy-6-hydroxy-3,5-bis(isohexylamino)cyclohexoxy]-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]oxy-5-(isohexylamino)-2-[(isohexylamino)methyl]tetrahydropyran-3,4-diol Formula: C53H105N5O14 MolecularWeight: 1036.4259

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNCC1C(C(C(C(O1)OC2C(OC(C2O)OC3C(C(CC(C3OC4C(C(C(C(O4)CO)O)O)NCCCC(C)C)NCCCC(C)C)NCCCC(C)C)O)CO)NCCCC(C)C)O)O

Isomeric SMILES

CC(C)CCCNCC1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NCCCC(C)C)NCCCC(C)C)NCCCC(C)C)O)CO)NCCCC(C)C)O)O

InChI

InChI=1S/C53H105N5O14/c1-30(2)16-11-21-54-27-37-43(62)45(64)40(57-24-14-19-33(7)8)51(67-37)71-49-39(29-60)69-53(47(49)66)72-50-42(61)35(55-22-12-17-31(3)4)26-36(56-23-13-18-32(5)6)48(50)70-52-41(58-25-15-20-34(9)10)46(65)44(63)38(28-59)68-52/h30-66H,11-29H2,1-10H3/t35-,36+,37?,38-,39-,40-,41-,42+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53+/m1/s1