(2R,4S,5R,6R)-4-methoxy-5-(2-methoxyethanoylamino)-2-[[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(E,2S,3R)-3-methoxy-2-[[(Z,2R)-2-methoxytetracos-15-enoyl]amino]-15-methyl-hexadec-4-enoxy]oxan-2-yl]methoxy]-6-[(1S,2R)-1,2,3-trimethoxypropyl]oxane-2-carboxylic acid

Systemtic Name: (2R,4S,5R,6R)-4-methoxy-5-(2-methoxyethanoylamino)-2-[[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(E,2S,3R)-3-methoxy-2-[[(Z,2R)-2-methoxytetracos-15-enoyl]amino]-15-methyl-hexadec-4-enoxy]oxan-2-yl]methoxy]-6-[(1S,2R)-1,2,3-trimethoxypropyl]oxane-2-carboxylic acid Openeye Name: (2R,4S,5R,6R)-4-methoxy-5-[(2-methoxyacetyl)amino]-2-[[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(E,2S,3R)-3-methoxy-2-[[(Z,2R)-2-methoxytetracos-15-enoyl]amino]-15-methyl-hexadec-4-enoxy]tetrahydropyran-2-yl]methoxy]-6-[(1S,2R)-1,2,3-trimethoxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2R,4S,5R,6R)-4-methoxy-5-[(2-methoxy-1-oxoethyl)amino]-2-[[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(E,2S,3R)-3-methoxy-2-[[(Z,2R)-2-methoxy-1-oxotetracos-15-enyl]amino]-15-methylhexadec-4-enoxy]-2-oxanyl]methoxy]-6-[(1S,2R)-1,2,3-trimethoxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2R,4S,5R,6R)-4-methoxy-5-[(2-methoxyacetyl)amino]-2-[[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(E,2S,3R)-3-methoxy-2-[[(Z,2R)-2-methoxytetracos-15-enoyl]amino]-15-methylhexadec-4-enoxy]oxan-2-yl]methoxy]-6-[(1S,2R)-1,2,3-trimethoxypropyl]oxane-2-carboxylic acid Traditional Name: (2R,4S,5R,6R)-4-methoxy-5-[(2-methoxyacetyl)amino]-2-[[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(E,2S,3R)-3-methoxy-2-[[(Z,2R)-2-methoxytetracos-15-enoyl]amino]-15-methyl-hexadec-4-enoxy]tetrahydropyran-2-yl]methoxy]-6-[(1S,2R)-1,2,3-trimethoxypropyl]tetrahydropyran-2-carboxylic acid Formula: C68H126N2O18 MolecularWeight: 1259.73064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)COC2(CC(C(C(O2)C(C(COC)OC)OC)NC(=O)COC)OC)C(=O)O)OC)OC)OC)C(C=CCCCCCCCCCC(C)C)OC)OC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](COC)OC)OC)NC(=O)COC)OC)C(=O)O)OC)OC)OC)[C@@H](/C=C/CCCCCCCCCC(C)C)OC)OC

InChI

InChI=1S/C68H126N2O18/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32-36-39-42-45-54(78-7)65(72)69-52(53(77-6)44-41-38-35-33-30-31-34-37-40-43-51(2)3)47-85-66-64(84-13)63(83-12)61(82-11)57(87-66)49-86-68(67(73)74)46-55(79-8)59(70-58(71)50-76-5)62(88-68)60(81-10)56(80-9)48-75-4/h21-22,41,44,51-57,59-64,66H,14-20,23-40,42-43,45-50H2,1-13H3,(H,69,72)(H,70,71)(H,73,74)/b22-21-,44-41+/t52-,53+,54+,55-,56+,57+,59+,60+,61+,62+,63-,64+,66+,68+/m0/s1