21-(1-cyclopentylethyl)-16,17,25,28-tetrahydroxy-6-(hydroxymethyl)-5-methyl-12-({[2-(methylamino)ethyl]amino}methyl)-9-oxo-10-oxaheptacyclo[17.8.1.0²,¹?.0?,¹?.0?,¹?.0?,¹¹.0²?,²?]octacosa-7,12-diene-1-carbaldehyde
AlkaPlorer ID: AK034839
Synonym: None
IUPAC Name: (1S,2R,5R,6S,11R,14R,16R,17S,19S,21R,24S,25S,28S)-21-[(1S)-1-cyclopentylethyl]-16,17,25,28-tetrahydroxy-6-(hydroxymethyl)-5-methyl-12-[[2-(methylamino)ethylamino]methyl]-9-oxo-10-oxaheptacyclo[17.8.1.02,17.05,16.06,14.07,11.024,28]octacosa-7,12-diene-1-carbaldehyde
Structure
SMILES: CNCCNCC1=C[C@H]2C[C@@]3(O)[C@](C)(CC[C@H]4[C@@]3(O)C[C@@H]3C[C@H]([C@@H](C)C5CCCC5)CC[C@H]5[C@@H](O)CC[C@@]4(C=O)[C@]35O)[C@@]2(CO)C2=CC(=O)O[C@@H]12
InChI: InChI=1S/C41H62N2O8/c1-24(25-6-4-5-7-25)26-8-9-30-32(46)10-13-37(22-44)33-11-12-36(2)38(23-45)28(20-40(36,49)39(33,48)19-29(16-26)41(30,37)50)17-27(21-43-15-14-42-3)35-31(38)18-34(47)51-35/h17-18,22,24-26,28-30,32-33,35,42-43,45-46,48-50H,4-16,19-21,23H2,1-3H3/t24-,26+,28-,29-,30-,32-,33+,35-,36+,37-,38+,39-,40+,41-/m0/s1
InChIKey: WEGNGDXNODYQEC-UFBYCDMXSA-N
Source
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Properties Information
Molecule Weight: 710.9530000000003
TPSA？: 168.57999999999998
MolLogP？: 2.797900000000001
Number of H-Donors: 7
Number of H-Acceptors: 10
RingCount: 8
Activities Information
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