N''-{2-[21-(dihydroxymethyl)-3,23,24,32,33-pentahydroxy-42-(hydroxymethyl)-39-(4-hydroxyphenyl)-14,24,30-trimethyl-41,44-dioxo-9-[5-oxo-4-(1H-pyrrol-3-yl)oxolan-3-yl]-36,37-dithia-43-azanonacyclo[28.13.2.2¹¹,²³.0²,²?.0³,²?.0?,²?.0¹¹,²?.0¹²,¹?.0³?,??]heptatetraconta-1,17-dien-7-yn-26-yl]ethyl}guanidine
AlkaPlorer ID: AK366973
Synonym: None
IUPAC Name: 2-[2-[21-(dihydroxymethyl)-3,23,24,32,33-pentahydroxy-42-(hydroxymethyl)-39-(4-hydroxyphenyl)-14,24,30-trimethyl-41,44-dioxo-9-[5-oxo-4-(1H-pyrrol-3-yl)oxolan-3-yl]-36,37-dithia-43-azanonacyclo[28.13.2.211,23.02,29.03,26.05,25.011,20.012,17.034,45]heptatetraconta-1,17-dien-7-yn-26-yl]ethyl]guanidine
Structure
SMILES: CC1CCC2=CCC3C(C(O)O)CC4(O)CCC3(CC(C3COC(=O)C3C3=CNC=C3)C#CCC3CC5(O)C6=C7NC(CO)C(=O)CC(C8=CC=C(O)C=C8)CSSCC8C(O)C(O)CC(C)(C6CCC5(CCN=C(N)N)C3C4(C)O)C8C7=O)C2C1
InChI: InChI=1S/C66H89N5O13S2/c1-34-7-8-36-11-14-45-42(58(78)79)27-65(82)19-18-63(45,47(36)23-34)25-37(43-31-84-59(80)51(43)39-16-21-69-29-39)5-4-6-38-26-66(83)53-46(15-17-64(66,20-22-70-60(67)68)57(38)62(65,3)81)61(2)28-50(75)55(76)44-33-86-85-32-40(35-9-12-41(73)13-10-35)24-49(74)48(30-72)71-54(53)56(77)52(44)61/h9-13,16,21,29,34,37-38,40,42-48,50-52,55,57-58,69,71-73,75-76,78-79,81-83H,6-8,14-15,17-20,22-28,30-33H2,1-3H3,(H4,67,68,70)
InChIKey: DLOWCJYXJWAEML-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 1224.5940000000005
TPSA？: 334.7299999999999
MolLogP？: 5.068700000000005
Number of H-Donors: 13
Number of H-Acceptors: 17
RingCount: 12
Activities Information
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