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: AK556846
Synonym: None
IUPAC Name: 21-(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=CC2CC3(O)C4(O)CC5CC(C(C)C6CCCC6)CCC6C(O)CCC(C=O)(C4CCC3(C)C2(CO)C2=CC(=O)OC12)C56O
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
InChIKey: WEGNGDXNODYQEC-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 710.9530000000002
TPSA？: 168.57999999999998
MolLogP？: 2.7979000000000016
Number of H-Donors: 7
Number of H-Acceptors: 10
RingCount: 8
Activities Information
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