21-(1-cyclopentylethyl)-16,17,25,28-tetrahydroxy-6-(hydroxymethyl)-12-{[(3-methoxypropyl)amino]methyl}-5-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: AK461599
Synonym: None
IUPAC Name: 21-(1-cyclopentylethyl)-16,17,25,28-tetrahydroxy-6-(hydroxymethyl)-12-[(3-methoxypropylamino)methyl]-5-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: CCCCCC1CC2(C=O)C3CCC4(C)C5(CO)C6=CC(=O)OC6C(CNCCCOC)=CC5CC4(O)C3(O)CC3CC(C(C)C4CCCC4)CCC(C1O)C32O
InChI: InChI=1S/C47H73NO9/c1-5-6-7-13-32-23-43(27-49)38-16-17-42(3)44(28-50)34(21-33(26-48-18-10-19-56-4)41-37(44)22-39(51)57-41)25-46(42,54)45(38,53)24-35-20-31(29(2)30-11-8-9-12-30)14-15-36(40(32)52)47(35,43)55/h21-22,27,29-32,34-36,38,40-41,48,50,52-55H,5-20,23-26,28H2,1-4H3
InChIKey: MWKLBNCYXSZBCP-UHFFFAOYSA-N
Reference
Marine natural products: metabolites of marine invertebrates
PubChem CID: 163099995
COCONUT: CNP0420835.1
Source
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Properties Information
Molecule Weight: 796.0989999999999
TPSA？: 165.78
MolLogP？: 5.421400000000007
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 8
Activities Information
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