6-[3-[2-[3-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2R,3S,4R,6S)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl]oxy-3-oxidanylidene-propoxy]ethoxy]propyl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[3-[2-[3-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2R,3S,4R,6S)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl]oxy-3-oxidanylidene-propoxy]ethoxy]propyl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[3-[2-[3-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl]oxy-3-oxo-propoxy]ethoxy]propyl]-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[3-[2-[3-[[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-3-oxanyl]oxy]-3-oxopropoxy]ethoxy]propyl]-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[3-[2-[3-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxy-3-oxopropoxy]ethoxy]propyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-[3-[2-[3-[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-2,10-diketo-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl]oxy-3-keto-propoxy]ethoxy]propyl]-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C58H92N2O19 MolecularWeight: 1121.35308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)CCOCCOCCCC3=CC4=C(C=C3)N(C=C(C4=O)C(=O)O)CC)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)OC(=O)CCOCCOCCCC3=CC4=C(C=C3)N(C=C(C4=O)C(=O)O)CC)(C)OC)C)O[C@@H]5[C@H]([C@@H](C[C@@H](O5)C)N(C)C)O)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C58H92N2O19/c1-16-43-58(11,69)50(65)34(5)46(62)32(3)29-56(9,70-14)51(79-55-48(64)42(59(12)13)27-33(4)74-55)35(6)49(36(7)54(68)76-43)78-45-30-57(10,71-15)52(37(8)75-45)77-44(61)22-24-73-26-25-72-23-18-19-38-20-21-41-39(28-38)47(63)40(53(66)67)31-60(41)17-2/h20-21,28,31-37,42-43,45,48-52,55,64-65,69H,16-19,22-27,29-30H2,1-15H3,(H,66,67)/t32-,33+,34+,35+,36-,37+,42-,43-,45+,48+,49+,50-,51-,52+,55-,56-,57-,58-/m1/s1