N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide

C98H150N2O26 — CID 91312174

IUPACN-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide
SMILESCC1CC(C)C(O)C(O[C@@H]2[C@@H](C)[C@H](OC3CC(C)(C)C(O)C(C)O3)[C@@H](C)C(=O)O[C@H](CCNC(=O)Cc3cccc(-c4ccco4)c3)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)[C@H](OC3CC(C)(C)C(O)C(C)O3)[C@@H](C)C(=O)O[C@H](CCNC(=O)Cc3ccccc3-c3ccco3)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1
InChIInChI=1S/2C49H75NO13/c1-26-21-28(3)59-46(40(26)53)63-44-30(5)41(62-38-25-47(8,9)43(55)32(7)60-38)31(6)45(56)61-36(49(12,57)42(54)29(4)39(52)27(2)24-48(44,10)11)18-19-50-37(51)23-33-15-13-16-34(22-33)35-17-14-20-58-35;1-26-22-28(3)59-46(40(26)53)63-44-30(5)41(62-38-25-47(8,9)43(55)32(7)60-38)31(6)45(56)61-36(49(12,57)42(54)29(4)39(52)27(2)24-48(44,10)11)19-20-50-37(51)23-33-16-13-14-17-34(33)35-18-15-21-58-35/h13-17,20,22,26-32,36,38,40-44,46,53-55,57H,18-19,21,23-25H2,1-12H3,(H,50,51);13-18,21,26-32,36,38,40-44,46,53-55,57H,19-20,22-25H2,1-12H3,(H,50,51)/t2*26?,27-,28?,29+,30+,31-,32?,36-,38?,40?,41+,42-,43?,44-,46?,49-/m11/s1
InChIKeyITYPAFRPTREHEN-BMRJNGSSSA-N
MW1772.27 g/mol
LogP11.97
Rot. Bonds20

About N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide

N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide (PubChem CID 91312174) has the molecular formula C98H150N2O26 and a molecular weight of 1772.27 g/mol. Its IUPAC name is N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide
PubChem CID91312174
Molecular FormulaC98H150N2O26
Molecular Weight1772.27 g/mol
Exact Mass1771.05
IUPAC NameN-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide
SMILESCC1CC(C)C(O)C(O[C@@H]2[C@@H](C)[C@H](OC3CC(C)(C)C(O)C(C)O3)[C@@H](C)C(=O)O[C@H](CCNC(=O)Cc3cccc(-c4ccco4)c3)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)[C@H](OC3CC(C)(C)C(O)C(C)O3)[C@@H](C)C(=O)O[C@H](CCNC(=O)Cc3ccccc3-c3ccco3)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1
InChIInChI=1S/2C49H75NO13/c1-26-21-28(3)59-46(40(26)53)63-44-30(5)41(62-38-25-47(8,9)43(55)32(7)60-38)31(6)45(56)61-36(49(12,57)42(54)29(4)39(52)27(2)24-48(44,10)11)18-19-50-37(51)23-33-15-13-16-34(22-33)35-17-14-20-58-35;1-26-22-28(3)59-46(40(26)53)63-44-30(5)41(62-38-25-47(8,9)43(55)32(7)60-38)31(6)45(56)61-36(49(12,57)42(54)29(4)39(52)27(2)24-48(44,10)11)19-20-50-37(51)23-33-16-13-14-17-34(33)35-18-15-21-58-35/h13-17,20,22,26-32,36,38,40-44,46,53-55,57H,18-19,21,23-25H2,1-12H3,(H,50,51);13-18,21,26-32,36,38,40-44,46,53-55,57H,19-20,22-25H2,1-12H3,(H,50,51)/t2*26?,27-,28?,29+,30+,31-,32?,36-,38?,40?,41+,42-,43?,44-,46?,49-/m11/s1
InChIKeyITYPAFRPTREHEN-BMRJNGSSSA-N
XLogP11.97
TPSA406.90 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001772.27
LogP ≤ 511.97
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide with MolForge

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Related Compounds

2-[4-(4-chlorophenyl)phenyl]-N-[2-[(2R,3S,4R,5R,7R,9R,10R,11S,12S,13R)-3,4,9-trihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]acetamide
CID 59106551
(3R,4S,5S,6R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-6-[(2S,3R,4S,6R)-3-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-[(2R,5R,6S)-5-hydroxy-4,4,6-trimethyloxan-2-yl]oxy-3,5,7,7,9,11,13-heptamethyl-oxacyclotetradecane-2,10-dione
CID 59073470
N-[3-[(3S,4R,7R,9R,10R,11S,13R)-10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,9,14-tetrahydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-6-oxo-oxacyclotetradec-2-yl]propyl]-2-[3-(furan-2-yl)phenyl]acetamide
CID 142267831
N-[2-[(1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-hydroxy-1,5,7,9,11,13-hexamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide
CID 53320006
N-[2-[(2R,3S,4R,5R,7R,9R,10R,11S,12S,13R)-10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,9-trihydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-5,7,9,11,13-pentamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-(3-thiophen-2-ylphenyl)acetamide
CID 163825080
[(2R,3R,4R,5R,7R,10R,11S,12S,13R)-2-ethyl-3-hydroxy-4,5,7,9,9,11,13-heptamethyl-6,14-dioxo-12-[(5R,6S)-4,4,5,6-tetramethyloxan-2-yl]oxy-10-[(3R,4S,6R)-3,4,6-trimethyloxan-2-yl]oxy-oxacyclotetradec-3-yl]methyl acetate
CID 59078423
[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-14-[2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]-2,10-dioxo-oxacyclotetradec-6-yl]oxy]oxan-3-yl] acetate
CID 11400430
[(2S,3S,4R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-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] N-benzylcarbamate
CID 11528039
quinolin-4-ylmethyl N-[2-[(2R,3S,5R,7R,9R,11S)-10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,9-trihydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]carbamate
CID 91276734
[(2S,3S,4R,6R)-6-[[(3R,4S,5R,7R,9R,11S,12S,13S,14S)-6-[(2S,3R,4S,6R)-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] N-[4-[[2-(3,5-dinitrophenyl)acetyl]amino]butyl]carbamate
CID 71603627
4-[[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 59667626
N-[3-[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propyl]-2-(3-nitrophenyl)acetamide
CID 25016560

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide?
The IUPAC name of N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide (CID 91312174) is N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide is CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)[C@H](OC3CC(C)(C)C(O)C(C)O3)[C@@H](C)C(=O)O[C@H](CCNC(=O)Cc3cccc(-c4ccco4)c3)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)[C@H](OC3CC(C)(C)C(O)C(C)O3)[C@@H](C)C(=O)O[C@H](CCNC(=O)Cc3ccccc3-c3ccco3)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.
What is the InChIKey of N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide?
The InChIKey is ITYPAFRPTREHEN-BMRJNGSSSA-N. The full InChI is InChI=1S/2C49H75NO13/c1-26-21-28(3)59-46(40(26)53)63-44-30(5)41(62-38-25-47(8,9)43(55)32(7)60-38)31(6)45(56)61-36(49(12,57)42(54)29(4)39(52)27(2)24-48(44,10)11)18-19-50-37(51)23-33-15-13-16-34(22-33)35-17-14-20-58-35;1-26-22-28(3)59-46(40(26)53)63-44-30(5)41(62-38-25-47(8,9)43(55)32(7)60-38)31(6)45(56)61-36(49(12,57)42(54)29(4)39(52)27(2)24-48(44,10)11)19-20-50-37(51)23-33-16-13-14-17-34(33)35-18-15-21-58-35/h13-17,20,22,26-32,36,38,40-44,46,53-55,57H,18-19,21,23-25H2,1-12H3,(H,50,51);13-18,21,26-32,36,38,40-44,46,53-55,57H,19-20,22-25H2,1-12H3,(H,50,51)/t2*26?,27-,28?,29+,30+,31-,32?,36-,38?,40?,41+,42-,43?,44-,46?,49-/m11/s1.
What are the key properties of N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide?
N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide has a molecular weight of 1772.27 g/mol, XLogP of 11.97, 20 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide is sourced from PubChem (CID 91312174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).