[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione

C219H251Cl3N4O67S5 — CID 159960698

IUPAC[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione
SMILESCC(=O)O[C@@]12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](C)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.CC(=O)O[C@@]12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](C)C3=C(C)[C@@H](OC(=O)[C@H](OC(=O)CCC(=O)O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.CC(=O)O[C@@]12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](C)C3=C(C)[C@@H](OC(=O)[C@H](OC(=O)CCC(=O)OCCl)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.CC(=O)O[C@@]12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](C)C3=C(C)[C@@H](OC(=O)[C@H](OC(=O)CCC(=O)OCOC(=O)CCCCC4CCSS4)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.O=C(O)CCCCC1CCSS1.O=C1CCC(=O)O1.O=S(=O)(Cl)OCCl
InChIInChI=1S/C59H69NO17S2.C51H56ClNO15.C50H55NO15.C46H51NO12.C8H14O2S2.C4H4O3.CH2Cl2O3S/c1-34-41(31-59(70)52(76-54(68)39-22-14-9-15-23-39)50-57(6,51(66)35(2)47(34)56(59,4)5)42(62)30-43-58(50,32-71-43)77-36(3)61)74-55(69)49(48(37-18-10-7-11-19-37)60-53(67)38-20-12-8-13-21-38)75-46(65)27-26-45(64)73-33-72-44(63)25-17-16-24-40-28-29-78-79-40;1-28-34(65-47(61)41(66-38(57)23-22-37(56)64-27-52)40(31-16-10-7-11-17-31)53-45(59)32-18-12-8-13-19-32)25-51(62)44(67-46(60)33-20-14-9-15-21-33)42-49(6,43(58)29(2)39(28)48(51,4)5)35(55)24-36-50(42,26-63-36)68-30(3)54;1-27-33(63-46(60)40(64-37(56)23-22-36(54)55)39(30-16-10-7-11-17-30)51-44(58)31-18-12-8-13-19-31)25-50(61)43(65-45(59)32-20-14-9-15-21-32)41-48(6,42(57)28(2)38(27)47(50,4)5)34(53)24-35-49(41,26-62-35)66-29(3)52;1-25-31(57-42(54)36(50)35(28-16-10-7-11-17-28)47-40(52)29-18-12-8-13-19-29)23-46(55)39(58-41(53)30-20-14-9-15-21-30)37-44(6,38(51)26(2)34(25)43(46,4)5)32(49)22-33-45(37,24-56-33)59-27(3)48;9-8(10)4-2-1-3-7-5-6-11-12-7;5-3-1-2-4(6)7-3;2-1-6-7(3,4)5/h7-15,18-23,35,40-43,48-50,52,62,70H,16-17,24-33H2,1-6H3,(H,60,67);7-21,29,34-36,40-42,44,55,62H,22-27H2,1-6H3,(H,53,59);7-21,28,33-35,39-41,43,53,61H,22-26H2,1-6H3,(H,51,58)(H,54,55);7-21,26,31-33,35-37,39,49-50,55H,22-24H2,1-6H3,(H,47,52);7H,1-6H2,(H,9,10);1-2H2;1H2/t35-,40?,41+,42+,43?,48+,49-,50+,52+,57-,58+,59-;29-,34+,35+,36?,40+,41-,42+,44+,49-,50+,51-;28-,33+,34+,35?,39+,40-,41+,43+,48-,49+,50-;26-,31+,32+,33?,35+,36-,37+,39+,44-,45+,46-;;;/m1111.../s1
InChIKeyODHBEXPHOJMEJY-NBLBRMBHSA-N
MW4278.07 g/mol
LogP25.65
Rot. Bonds63

About [(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione

[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione (PubChem CID 159960698) has the molecular formula C219H251Cl3N4O67S5 and a molecular weight of 4278.07 g/mol. Its IUPAC name is [(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione.

Molecular Properties

Compound Name[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione
PubChem CID159960698
Molecular FormulaC219H251Cl3N4O67S5
Molecular Weight4278.07 g/mol
Exact Mass4273.40
IUPAC Name[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione
SMILESCC(=O)O[C@@]12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](C)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.CC(=O)O[C@@]12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](C)C3=C(C)[C@@H](OC(=O)[C@H](OC(=O)CCC(=O)O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.CC(=O)O[C@@]12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](C)C3=C(C)[C@@H](OC(=O)[C@H](OC(=O)CCC(=O)OCCl)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.CC(=O)O[C@@]12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](C)C3=C(C)[C@@H](OC(=O)[C@H](OC(=O)CCC(=O)OCOC(=O)CCCCC4CCSS4)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.O=C(O)CCCCC1CCSS1.O=C1CCC(=O)O1.O=S(=O)(Cl)OCCl
InChIInChI=1S/C59H69NO17S2.C51H56ClNO15.C50H55NO15.C46H51NO12.C8H14O2S2.C4H4O3.CH2Cl2O3S/c1-34-41(31-59(70)52(76-54(68)39-22-14-9-15-23-39)50-57(6,51(66)35(2)47(34)56(59,4)5)42(62)30-43-58(50,32-71-43)77-36(3)61)74-55(69)49(48(37-18-10-7-11-19-37)60-53(67)38-20-12-8-13-21-38)75-46(65)27-26-45(64)73-33-72-44(63)25-17-16-24-40-28-29-78-79-40;1-28-34(65-47(61)41(66-38(57)23-22-37(56)64-27-52)40(31-16-10-7-11-17-31)53-45(59)32-18-12-8-13-19-32)25-51(62)44(67-46(60)33-20-14-9-15-21-33)42-49(6,43(58)29(2)39(28)48(51,4)5)35(55)24-36-50(42,26-63-36)68-30(3)54;1-27-33(63-46(60)40(64-37(56)23-22-36(54)55)39(30-16-10-7-11-17-30)51-44(58)31-18-12-8-13-19-31)25-50(61)43(65-45(59)32-20-14-9-15-21-32)41-48(6,42(57)28(2)38(27)47(50,4)5)34(53)24-35-49(41,26-62-35)66-29(3)52;1-25-31(57-42(54)36(50)35(28-16-10-7-11-17-28)47-40(52)29-18-12-8-13-19-29)23-46(55)39(58-41(53)30-20-14-9-15-21-30)37-44(6,38(51)26(2)34(25)43(46,4)5)32(49)22-33-45(37,24-56-33)59-27(3)48;9-8(10)4-2-1-3-7-5-6-11-12-7;5-3-1-2-4(6)7-3;2-1-6-7(3,4)5/h7-15,18-23,35,40-43,48-50,52,62,70H,16-17,24-33H2,1-6H3,(H,60,67);7-21,29,34-36,40-42,44,55,62H,22-27H2,1-6H3,(H,53,59);7-21,28,33-35,39-41,43,53,61H,22-26H2,1-6H3,(H,51,58)(H,54,55);7-21,26,31-33,35-37,39,49-50,55H,22-24H2,1-6H3,(H,47,52);7H,1-6H2,(H,9,10);1-2H2;1H2/t35-,40?,41+,42+,43?,48+,49-,50+,52+,57-,58+,59-;29-,34+,35+,36?,40+,41-,42+,44+,49-,50+,51-;28-,33+,34+,35?,39+,40-,41+,43+,48-,49+,50-;26-,31+,32+,33?,35+,36-,37+,39+,44-,45+,46-;;;/m1111.../s1
InChIKeyODHBEXPHOJMEJY-NBLBRMBHSA-N
XLogP25.65
TPSA1038.41 Ų
H-Bond Donors15
H-Bond Acceptors69
Rotatable Bonds63
Heavy Atoms298
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004278.07
LogP ≤ 525.65
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1069

Analyze [(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione with MolForge

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Related Compounds

[(1R,2S,3R,4R,7R,9R,10R,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 161021746
[(1S,2R,3S,4R,7R,9S,10R,12R,15R)-4-acetyloxy-15-[(2R,3R)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 124937983
[(1S,2S,3R,4S,7R,10S,12R,15S)-4-acetyloxy-15-[(2R)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 6325031
[(1S,4S,7R,9S,10S,12R)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 11970038
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;octadecanoic acid
CID 118607721
[(1S,2S,4S,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-(4-oxopentanoyloxy)-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 58019736
(2S)-4-[(2R,3S)-1-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-12-(2-oxopropyl)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-2-hydroxy-4-oxobutanoate
CID 59205509
[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-(4-amino-4-oxobutanoyl)oxy-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 10123949
[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-(3-aminopropanoyloxy)-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 14060335
6-O-[1-benzamido-3-[[(10S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl] 1-O-ethenyl hexanedioate
CID 59961321
carbonochloridic acid;[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 87446205
[(1S,2S,3R,4S,9S,12S,15S)-12-acetyl-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 59920347

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione?
The IUPAC name of [(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione (CID 159960698) is [(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione.
What is the SMILES notation for [(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione?
The canonical SMILES for [(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione is CC(=O)O[C@@]12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](C)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.CC(=O)O[C@@]12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](C)C3=C(C)[C@@H](OC(=O)[C@H](OC(=O)CCC(=O)O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.CC(=O)O[C@@]12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](C)C3=C(C)[C@@H](OC(=O)[C@H](OC(=O)CCC(=O)OCCl)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.CC(=O)O[C@@]12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](C)C3=C(C)[C@@H](OC(=O)[C@H](OC(=O)CCC(=O)OCOC(=O)CCCCC4CCSS4)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.O=C(O)CCCCC1CCSS1.O=C1CCC(=O)O1.O=S(=O)(Cl)OCCl.
What is the InChIKey of [(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione?
The InChIKey is ODHBEXPHOJMEJY-NBLBRMBHSA-N. The full InChI is InChI=1S/C59H69NO17S2.C51H56ClNO15.C50H55NO15.C46H51NO12.C8H14O2S2.C4H4O3.CH2Cl2O3S/c1-34-41(31-59(70)52(76-54(68)39-22-14-9-15-23-39)50-57(6,51(66)35(2)47(34)56(59,4)5)42(62)30-43-58(50,32-71-43)77-36(3)61)74-55(69)49(48(37-18-10-7-11-19-37)60-53(67)38-20-12-8-13-21-38)75-46(65)27-26-45(64)73-33-72-44(63)25-17-16-24-40-28-29-78-79-40;1-28-34(65-47(61)41(66-38(57)23-22-37(56)64-27-52)40(31-16-10-7-11-17-31)53-45(59)32-18-12-8-13-19-32)25-51(62)44(67-46(60)33-20-14-9-15-21-33)42-49(6,43(58)29(2)39(28)48(51,4)5)35(55)24-36-50(42,26-63-36)68-30(3)54;1-27-33(63-46(60)40(64-37(56)23-22-36(54)55)39(30-16-10-7-11-17-30)51-44(58)31-18-12-8-13-19-31)25-50(61)43(65-45(59)32-20-14-9-15-21-32)41-48(6,42(57)28(2)38(27)47(50,4)5)34(53)24-35-49(41,26-62-35)66-29(3)52;1-25-31(57-42(54)36(50)35(28-16-10-7-11-17-28)47-40(52)29-18-12-8-13-19-29)23-46(55)39(58-41(53)30-20-14-9-15-21-30)37-44(6,38(51)26(2)34(25)43(46,4)5)32(49)22-33-45(37,24-56-33)59-27(3)48;9-8(10)4-2-1-3-7-5-6-11-12-7;5-3-1-2-4(6)7-3;2-1-6-7(3,4)5/h7-15,18-23,35,40-43,48-50,52,62,70H,16-17,24-33H2,1-6H3,(H,60,67);7-21,29,34-36,40-42,44,55,62H,22-27H2,1-6H3,(H,53,59);7-21,28,33-35,39-41,43,53,61H,22-26H2,1-6H3,(H,51,58)(H,54,55);7-21,26,31-33,35-37,39,49-50,55H,22-24H2,1-6H3,(H,47,52);7H,1-6H2,(H,9,10);1-2H2;1H2/t35-,40?,41+,42+,43?,48+,49-,50+,52+,57-,58+,59-;29-,34+,35+,36?,40+,41-,42+,44+,49-,50+,51-;28-,33+,34+,35?,39+,40-,41+,43+,48-,49+,50-;26-,31+,32+,33?,35+,36-,37+,39+,44-,45+,46-;;;/m1111.../s1.
What are the key properties of [(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione?
[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione has a molecular weight of 4278.07 g/mol, XLogP of 25.65, 63 rotatable bonds, 15 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione is sourced from PubChem (CID 159960698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).