[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-imino-3,5,7,9,11,13-hexamethyl-2-oxo-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;hydrochloride

C189H255ClN8O42S2 — CID 159610056

About [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-imino-3,5,7,9,11,13-hexamethyl-2-oxo-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;hydrochloride

[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-imino-3,5,7,9,11,13-hexamethyl-2-oxo-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;hydrochloride (PubChem CID 159610056) has the molecular formula C189H255ClN8O42S2 and a molecular weight of 3410.72 g/mol. Its IUPAC name is [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-imino-3,5,7,9,11,13-hexamethyl-2-oxo-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;hydrochloride.

Molecular Properties

• Compound Name: [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-imino-3,5,7,9,11,13-hexamethyl-2-oxo-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;hydrochloride
• PubChem CID: 159610056
• Molecular Formula: C189H255ClN8O42S2
• Molecular Weight: 3410.72 g/mol
• Exact Mass: 3407.72
• IUPAC Name: [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-imino-3,5,7,9,11,13-hexamethyl-2-oxo-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;hydrochloride
• SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](OC(=O)c3ccccc3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)c2ccccc2)[C@@](C)(O)C[C@@H](C)C(=NSc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O.CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](OC(=O)c3ccccc3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)c2ccccc2)[C@@](C)(OC/C=C/c2cnc3ccccc3c2)C[C@@H](C)C(=NSc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O.Cl.[H]/N=C1/[C@H](C)C[C@](C)(OC/C=C/c2cnc3ccccc3c2)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)c2ccccc2)[C@@H](C)[C@H](OC2C[C@@](C)(OC)[C@@H](OC(=O)c3ccccc3)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
• InChI: InChI=1S/C69H89N3O14S.C63H85N3O14.C57H80N2O14S.ClH/c1-14-55-69(10,77)60(73)44(4)57(71-87-52-33-22-17-23-34-52)42(2)39-68(9,79-36-26-27-48-38-51-32-24-25-35-53(51)70-41-48)61(86-66-59(54(72(11)12)37-43(3)80-66)84-64(75)49-28-18-15-19-29-49)45(5)58(46(6)63(74)82-55)83-56-40-67(8,78-13)62(47(7)81-56)85-65(76)50-30-20-16-21-31-50;1-14-49-63(10,71)54(67)39(4)51(64)37(2)34-62(9,73-31-23-24-43-33-46-29-21-22-30-47(46)65-36-43)55(80-60-53(48(66(11)12)32-38(3)74-60)78-58(69)44-25-17-15-18-26-44)40(5)52(41(6)57(68)76-49)77-50-35-61(8,72-13)56(42(7)75-50)79-59(70)45-27-19-16-20-28-45;1-14-43-57(10,65)48(60)35(4)45(58-74-41-28-22-17-23-29-41)33(2)31-55(8,64)49(73-54-47(42(59(11)12)30-34(3)67-54)71-52(62)39-24-18-15-19-25-39)36(5)46(37(6)51(61)69-43)70-44-32-56(9,66-13)50(38(7)68-44)72-53(63)40-26-20-16-21-27-40;/h15-35,38,41-47,54-56,58-62,66,73,77H,14,36-37,39-40H2,1-13H3;15-30,33,36-42,48-50,52-56,60,64,67,71H,14,31-32,34-35H2,1-13H3;15-29,33-38,42-44,46-50,54,60,64-65H,14,30-32H2,1-13H3;1H/b27-26+,71-57?;24-23+,64-51-;;/t42-,43-,44+,45+,46-,47+,54+,55-,56?,58+,59-,60-,61-,62+,66+,67-,68+,69-;37-,38-,39+,40+,41-,42+,48+,49-,50?,52+,53-,54-,55-,56+,60+,61-,62+,63-;33-,34-,35+,36+,37-,38+,42+,43-,44?,46+,47-,48-,49-,50+,54+,55+,56-,57-;/m111./s1
• InChIKey: GVZQYGCAYZLNMP-ACPLNSOYSA-N
• XLogP: 29.15
• TPSA: 619.29 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 52
• Rotatable Bonds: 45
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3410.72
LogP ≤ 5	29.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-imino-3,5,7,9,11,13-hexamethyl-2-oxo-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;hydrochloride?

The IUPAC name of [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-imino-3,5,7,9,11,13-hexamethyl-2-oxo-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;hydrochloride (CID 159610056) is [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-imino-3,5,7,9,11,13-hexamethyl-2-oxo-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;hydrochloride.

What is the SMILES notation for [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-imino-3,5,7,9,11,13-hexamethyl-2-oxo-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;hydrochloride?

The canonical SMILES for [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-imino-3,5,7,9,11,13-hexamethyl-2-oxo-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;hydrochloride is CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](OC(=O)c3ccccc3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)c2ccccc2)[C@@](C)(O)C[C@@H](C)C(=NSc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O.CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](OC(=O)c3ccccc3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)c2ccccc2)[C@@](C)(OC/C=C/c2cnc3ccccc3c2)C[C@@H](C)C(=NSc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O.Cl.[H]/N=C1/[C@H](C)C[C@](C)(OC/C=C/c2cnc3ccccc3c2)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)c2ccccc2)[C@@H](C)[C@H](OC2C[C@@](C)(OC)[C@@H](OC(=O)c3ccccc3)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C.

What is the InChIKey of [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-imino-3,5,7,9,11,13-hexamethyl-2-oxo-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;hydrochloride?

The InChIKey is GVZQYGCAYZLNMP-ACPLNSOYSA-N. The full InChI is InChI=1S/C69H89N3O14S.C63H85N3O14.C57H80N2O14S.ClH/c1-14-55-69(10,77)60(73)44(4)57(71-87-52-33-22-17-23-34-52)42(2)39-68(9,79-36-26-27-48-38-51-32-24-25-35-53(51)70-41-48)61(86-66-59(54(72(11)12)37-43(3)80-66)84-64(75)49-28-18-15-19-29-49)45(5)58(46(6)63(74)82-55)83-56-40-67(8,78-13)62(47(7)81-56)85-65(76)50-30-20-16-21-31-50;1-14-49-63(10,71)54(67)39(4)51(64)37(2)34-62(9,73-31-23-24-43-33-46-29-21-22-30-47(46)65-36-43)55(80-60-53(48(66(11)12)32-38(3)74-60)78-58(69)44-25-17-15-18-26-44)40(5)52(41(6)57(68)76-49)77-50-35-61(8,72-13)56(42(7)75-50)79-59(70)45-27-19-16-20-28-45;1-14-43-57(10,65)48(60)35(4)45(58-74-41-28-22-17-23-29-41)33(2)31-55(8,64)49(73-54-47(42(59(11)12)30-34(3)67-54)71-52(62)39-24-18-15-19-25-39)36(5)46(37(6)51(61)69-43)70-44-32-56(9,66-13)50(38(7)68-44)72-53(63)40-26-20-16-21-27-40;/h15-35,38,41-47,54-56,58-62,66,73,77H,14,36-37,39-40H2,1-13H3;15-30,33,36-42,48-50,52-56,60,64,67,71H,14,31-32,34-35H2,1-13H3;15-29,33-38,42-44,46-50,54,60,64-65H,14,30-32H2,1-13H3;1H/b27-26+,71-57?;24-23+,64-51-;;/t42-,43-,44+,45+,46-,47+,54+,55-,56?,58+,59-,60-,61-,62+,66+,67-,68+,69-;37-,38-,39+,40+,41-,42+,48+,49-,50?,52+,53-,54-,55-,56+,60+,61-,62+,63-;33-,34-,35+,36+,37-,38+,42+,43-,44?,46+,47-,48-,49-,50+,54+,55+,56-,57-;/m111./s1.

What are the key properties of [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-imino-3,5,7,9,11,13-hexamethyl-2-oxo-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;hydrochloride?

[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-imino-3,5,7,9,11,13-hexamethyl-2-oxo-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;hydrochloride has a molecular weight of 3410.72 g/mol, XLogP of 29.15, 45 rotatable bonds, 8 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-imino-3,5,7,9,11,13-hexamethyl-2-oxo-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7S,9R,11S,12R,13S,14R)-4-[(4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate;hydrochloride is sourced from PubChem (CID 159610056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).