21-(1-cyclopentylethyl)-16,17,25,28-tetrahydroxy-5-methyl-12-({[2-(methylamino)ethyl]amino}methyl)-9-oxo-26-pentyl-10-oxaheptacyclo[17.8.1.0²,¹?.0?,¹?.0?,¹?.0?,¹¹.0²?,²?]octacosa-7,12-diene-1-carbaldehyde
AlkaPlorer ID: AK117383
Synonym: None
IUPAC Name: (1S,2R,5R,6R,11R,14S,16R,17S,19S,21S,24R,25S,26R,28S)-21-[(1S)-1-cyclopentylethyl]-16,17,25,28-tetrahydroxy-5-methyl-12-[[2-(methylamino)ethylamino]methyl]-9-oxo-26-pentyl-10-oxaheptacyclo[17.8.1.02,17.05,16.06,14.07,11.024,28]octacosa-7,12-diene-1-carbaldehyde
Structure
SMILES: CCCCC[C@@H]1C[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H]5C6=CC(=O)O[C@H]6C(CNCCNC)=C[C@@H]5C[C@]4(O)[C@]3(O)C[C@@H]3C[C@@H]([C@@H](C)C4CCCC4)CC[C@H]([C@H]1O)[C@@]32O
InChI: InChI=1S/C45H70N2O7/c1-5-6-7-12-30-22-42(26-48)36-15-16-41(3)38-31(19-32(25-47-18-17-46-4)40-34(38)21-37(49)54-40)23-44(41,52)43(36,51)24-33-20-29(27(2)28-10-8-9-11-28)13-14-35(39(30)50)45(33,42)53/h19,21,26-31,33,35-36,38-40,46-47,50-53H,5-18,20,22-25H2,1-4H3/t27-,29-,30+,31+,33-,35+,36+,38+,39-,40-,41+,42-,43-,44+,45-/m0/s1
InChIKey: SWDZRGIFJHROJN-LROOQYATSA-N
Source
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Properties Information
Molecule Weight: 751.0619999999999
TPSA？: 148.35
MolLogP？: 5.241800000000007
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 8
Activities Information
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