Pteriatoxin A
AlkaPlorer ID: AK311592
Synonym: None
IUPAC Name: 2-amino-3-[2-(11,34-dihydroxy-11,23,24,35-tetramethyl-16-methylidene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]hentetraconta-20,29-dien-29-yl)-2-hydroxyethyl]sulfanylpropanoic acid
Structure
SMILES: C=C1CCCC2=NCC(C)C(C)CC23CCC(C(O)CSCC(N)C(=O)O)=CC3C2OC3(CC4CCCC5(CCC6(OC(CCC6(C)O)C1)O5)O4)CC(C)C(O)C2O3
InChI: InChI=1S/C45H70N2O10S/c1-26-8-6-10-36-42(20-27(2)29(4)23-47-36)15-11-30(35(48)25-58-24-34(46)40(50)51)19-33(42)38-39-37(49)28(3)21-44(55-38,56-39)22-32-9-7-13-43(53-32)16-17-45(57-43)41(5,52)14-12-31(18-26)54-45/h19,27-29,31-35,37-39,48-49,52H,1,6-18,20-25,46H2,2-5H3,(H,50,51)
InChIKey: USRUBHGWNUYOFR-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 831.1259999999999
TPSA？: 182.52
MolLogP？: 6.035500000000008
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 8
Activities Information
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