4-[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(4-carboxybutyl)carbamoyl]oxycyclohexane-1-carboxylic acid;methyl 4-[[2-[(6S,7R,8R,12S,19S,26S)-8-acetyloxy-19-[(R)-acetyloxy(phenyl)methyl]-26-(2-amino-2-oxoethyl)-12-[(4-ethoxycarbonyloxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(5-methoxy-5-oxopentyl)carbamoyl]oxycyclohexane-1-carboxylate

C139H138N26O32S12 — CID 158620980

About 4-[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(4-carboxybutyl)carbamoyl]oxycyclohexane-1-carboxylic acid;methyl 4-[[2-[(6S,7R,8R,12S,19S,26S)-8-acetyloxy-19-[(R)-acetyloxy(phenyl)methyl]-26-(2-amino-2-oxoethyl)-12-[(4-ethoxycarbonyloxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(5-methoxy-5-oxopentyl)carbamoyl]oxycyclohexane-1-carboxylate

4-[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(4-carboxybutyl)carbamoyl]oxycyclohexane-1-carboxylic acid;methyl 4-[[2-[(6S,7R,8R,12S,19S,26S)-8-acetyloxy-19-[(R)-acetyloxy(phenyl)methyl]-26-(2-amino-2-oxoethyl)-12-[(4-ethoxycarbonyloxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(5-methoxy-5-oxopentyl)carbamoyl]oxycyclohexane-1-carboxylate (PubChem CID 158620980) has the molecular formula C139H138N26O32S12 and a molecular weight of 3069.59 g/mol. Its IUPAC name is 4-[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(4-carboxybutyl)carbamoyl]oxycyclohexane-1-carboxylic acid;methyl 4-[[2-[(6S,7R,8R,12S,19S,26S)-8-acetyloxy-19-[(R)-acetyloxy(phenyl)methyl]-26-(2-amino-2-oxoethyl)-12-[(4-ethoxycarbonyloxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(5-methoxy-5-oxopentyl)carbamoyl]oxycyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: 4-[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(4-carboxybutyl)carbamoyl]oxycyclohexane-1-carboxylic acid;methyl 4-[[2-[(6S,7R,8R,12S,19S,26S)-8-acetyloxy-19-[(R)-acetyloxy(phenyl)methyl]-26-(2-amino-2-oxoethyl)-12-[(4-ethoxycarbonyloxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(5-methoxy-5-oxopentyl)carbamoyl]oxycyclohexane-1-carboxylate
• PubChem CID: 158620980
• Molecular Formula: C139H138N26O32S12
• Molecular Weight: 3069.59 g/mol
• Exact Mass: 3066.66
• IUPAC Name: 4-[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(4-carboxybutyl)carbamoyl]oxycyclohexane-1-carboxylic acid;methyl 4-[[2-[(6S,7R,8R,12S,19S,26S)-8-acetyloxy-19-[(R)-acetyloxy(phenyl)methyl]-26-(2-amino-2-oxoethyl)-12-[(4-ethoxycarbonyloxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(5-methoxy-5-oxopentyl)carbamoyl]oxycyclohexane-1-carboxylate
• SMILES: CCOC(=O)Oc1ccc(C[C@@H]2NC(=O)c3csc(n3)[C@H]([C@H](OC(C)=O)c3ccccc3)NC(=O)c3nc(sc3C)[C@H](CC(N)=O)NC(=O)c3csc(n3)-c3ccc(-c4nc(N(CCCCC(=O)OC)C(=O)OC5CCC(C(=O)OC)CC5)cs4)nc3-c3csc(n3)-c3csc(n3)[C@@H]3[C@@H](C)[C@@H](OC(C)=O)CN3C2=O)cc1.Cc1sc2nc1C(=O)N[C@@H]([C@H](O)c1ccccc1)c1nc(cs1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H](O)[C@H](C)[C@H]1c1nc(cs1)-c1nc(cs1)-c1nc(-c3nc(N(CCCCC(=O)O)C(=O)OC4CCC(C(=O)O)CC4)cs3)ccc1-c1nc(cs1)C(=O)N[C@H]2CC(N)=O
• InChI: InChI=1S/C74H75N13O18S6.C65H63N13O14S6/c1-8-101-74(98)105-44-21-17-40(18-22-44)28-48-71(95)87-30-53(102-38(4)88)36(2)60(87)70-82-52(34-109-70)67-79-49(31-107-67)58-45(25-26-46(76-58)66-83-55(35-110-66)86(27-13-12-16-56(91)99-6)73(97)104-43-23-19-42(20-24-43)72(96)100-7)65-80-50(32-106-65)62(92)77-47(29-54(75)90)68-85-57(37(3)111-68)64(94)84-59(69-81-51(33-108-69)63(93)78-48)61(103-39(5)89)41-14-10-9-11-15-41;1-30-45(80)24-78-52(30)62-73-44(28-96-62)59-70-41(25-94-59)50-37(19-20-38(67-50)58-74-47(29-97-58)77(21-7-6-10-48(82)83)65(91)92-36-17-13-34(14-18-36)64(89)90)57-71-42(26-93-57)54(85)68-39(23-46(66)81)60-76-49(31(2)98-60)56(87)75-51(53(84)33-8-4-3-5-9-33)61-72-43(27-95-61)55(86)69-40(63(78)88)22-32-11-15-35(79)16-12-32/h9-11,14-15,17-18,21-22,25-26,31-36,42-43,47-48,53,59-61H,8,12-13,16,19-20,23-24,27-30H2,1-7H3,(H2,75,90)(H,77,92)(H,78,93)(H,84,94);3-5,8-9,11-12,15-16,19-20,25-30,34,36,39-40,45,51-53,79-80,84H,6-7,10,13-14,17-18,21-24H2,1-2H3,(H2,66,81)(H,68,85)(H,69,86)(H,75,87)(H,82,83)(H,89,90)/t36-,42?,43?,47-,48-,53-,59-,60-,61+;30-,34?,36?,39-,40-,45-,51-,52-,53+/m00/s1
• InChIKey: HXZHUYSBPVPHSH-VRPZZMNISA-N
• XLogP: 20.41
• TPSA: 816.96 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 56
• Rotatable Bonds: 34
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3069.59
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(4-carboxybutyl)carbamoyl]oxycyclohexane-1-carboxylic acid;methyl 4-[[2-[(6S,7R,8R,12S,19S,26S)-8-acetyloxy-19-[(R)-acetyloxy(phenyl)methyl]-26-(2-amino-2-oxoethyl)-12-[(4-ethoxycarbonyloxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(5-methoxy-5-oxopentyl)carbamoyl]oxycyclohexane-1-carboxylate?

The IUPAC name of 4-[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(4-carboxybutyl)carbamoyl]oxycyclohexane-1-carboxylic acid;methyl 4-[[2-[(6S,7R,8R,12S,19S,26S)-8-acetyloxy-19-[(R)-acetyloxy(phenyl)methyl]-26-(2-amino-2-oxoethyl)-12-[(4-ethoxycarbonyloxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(5-methoxy-5-oxopentyl)carbamoyl]oxycyclohexane-1-carboxylate (CID 158620980) is 4-[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(4-carboxybutyl)carbamoyl]oxycyclohexane-1-carboxylic acid;methyl 4-[[2-[(6S,7R,8R,12S,19S,26S)-8-acetyloxy-19-[(R)-acetyloxy(phenyl)methyl]-26-(2-amino-2-oxoethyl)-12-[(4-ethoxycarbonyloxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(5-methoxy-5-oxopentyl)carbamoyl]oxycyclohexane-1-carboxylate.

What is the SMILES notation for 4-[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(4-carboxybutyl)carbamoyl]oxycyclohexane-1-carboxylic acid;methyl 4-[[2-[(6S,7R,8R,12S,19S,26S)-8-acetyloxy-19-[(R)-acetyloxy(phenyl)methyl]-26-(2-amino-2-oxoethyl)-12-[(4-ethoxycarbonyloxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(5-methoxy-5-oxopentyl)carbamoyl]oxycyclohexane-1-carboxylate?

The canonical SMILES for 4-[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(4-carboxybutyl)carbamoyl]oxycyclohexane-1-carboxylic acid;methyl 4-[[2-[(6S,7R,8R,12S,19S,26S)-8-acetyloxy-19-[(R)-acetyloxy(phenyl)methyl]-26-(2-amino-2-oxoethyl)-12-[(4-ethoxycarbonyloxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(5-methoxy-5-oxopentyl)carbamoyl]oxycyclohexane-1-carboxylate is CCOC(=O)Oc1ccc(C[C@@H]2NC(=O)c3csc(n3)[C@H]([C@H](OC(C)=O)c3ccccc3)NC(=O)c3nc(sc3C)[C@H](CC(N)=O)NC(=O)c3csc(n3)-c3ccc(-c4nc(N(CCCCC(=O)OC)C(=O)OC5CCC(C(=O)OC)CC5)cs4)nc3-c3csc(n3)-c3csc(n3)[C@@H]3[C@@H](C)[C@@H](OC(C)=O)CN3C2=O)cc1.Cc1sc2nc1C(=O)N[C@@H]([C@H](O)c1ccccc1)c1nc(cs1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H](O)[C@H](C)[C@H]1c1nc(cs1)-c1nc(cs1)-c1nc(-c3nc(N(CCCCC(=O)O)C(=O)OC4CCC(C(=O)O)CC4)cs3)ccc1-c1nc(cs1)C(=O)N[C@H]2CC(N)=O.

What is the InChIKey of 4-[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(4-carboxybutyl)carbamoyl]oxycyclohexane-1-carboxylic acid;methyl 4-[[2-[(6S,7R,8R,12S,19S,26S)-8-acetyloxy-19-[(R)-acetyloxy(phenyl)methyl]-26-(2-amino-2-oxoethyl)-12-[(4-ethoxycarbonyloxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(5-methoxy-5-oxopentyl)carbamoyl]oxycyclohexane-1-carboxylate?

The InChIKey is HXZHUYSBPVPHSH-VRPZZMNISA-N. The full InChI is InChI=1S/C74H75N13O18S6.C65H63N13O14S6/c1-8-101-74(98)105-44-21-17-40(18-22-44)28-48-71(95)87-30-53(102-38(4)88)36(2)60(87)70-82-52(34-109-70)67-79-49(31-107-67)58-45(25-26-46(76-58)66-83-55(35-110-66)86(27-13-12-16-56(91)99-6)73(97)104-43-23-19-42(20-24-43)72(96)100-7)65-80-50(32-106-65)62(92)77-47(29-54(75)90)68-85-57(37(3)111-68)64(94)84-59(69-81-51(33-108-69)63(93)78-48)61(103-39(5)89)41-14-10-9-11-15-41;1-30-45(80)24-78-52(30)62-73-44(28-96-62)59-70-41(25-94-59)50-37(19-20-38(67-50)58-74-47(29-97-58)77(21-7-6-10-48(82)83)65(91)92-36-17-13-34(14-18-36)64(89)90)57-71-42(26-93-57)54(85)68-39(23-46(66)81)60-76-49(31(2)98-60)56(87)75-51(53(84)33-8-4-3-5-9-33)61-72-43(27-95-61)55(86)69-40(63(78)88)22-32-11-15-35(79)16-12-32/h9-11,14-15,17-18,21-22,25-26,31-36,42-43,47-48,53,59-61H,8,12-13,16,19-20,23-24,27-30H2,1-7H3,(H2,75,90)(H,77,92)(H,78,93)(H,84,94);3-5,8-9,11-12,15-16,19-20,25-30,34,36,39-40,45,51-53,79-80,84H,6-7,10,13-14,17-18,21-24H2,1-2H3,(H2,66,81)(H,68,85)(H,69,86)(H,75,87)(H,82,83)(H,89,90)/t36-,42?,43?,47-,48-,53-,59-,60-,61+;30-,34?,36?,39-,40-,45-,51-,52-,53+/m00/s1.

What are the key properties of 4-[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(4-carboxybutyl)carbamoyl]oxycyclohexane-1-carboxylic acid;methyl 4-[[2-[(6S,7R,8R,12S,19S,26S)-8-acetyloxy-19-[(R)-acetyloxy(phenyl)methyl]-26-(2-amino-2-oxoethyl)-12-[(4-ethoxycarbonyloxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(5-methoxy-5-oxopentyl)carbamoyl]oxycyclohexane-1-carboxylate?

4-[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(4-carboxybutyl)carbamoyl]oxycyclohexane-1-carboxylic acid;methyl 4-[[2-[(6S,7R,8R,12S,19S,26S)-8-acetyloxy-19-[(R)-acetyloxy(phenyl)methyl]-26-(2-amino-2-oxoethyl)-12-[(4-ethoxycarbonyloxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(5-methoxy-5-oxopentyl)carbamoyl]oxycyclohexane-1-carboxylate has a molecular weight of 3069.59 g/mol, XLogP of 20.41, 34 rotatable bonds, 13 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(4-carboxybutyl)carbamoyl]oxycyclohexane-1-carboxylic acid;methyl 4-[[2-[(6S,7R,8R,12S,19S,26S)-8-acetyloxy-19-[(R)-acetyloxy(phenyl)methyl]-26-(2-amino-2-oxoethyl)-12-[(4-ethoxycarbonyloxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazol-4-yl]-(5-methoxy-5-oxopentyl)carbamoyl]oxycyclohexane-1-carboxylate is sourced from PubChem (CID 158620980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).