2-amino-4-{[(2S,3R,6S)-3-(carboxylatomethyl)-2-{2-hydroxy-5-[(2S,3S,4S,6S)-4-hydroxy-6-{2-[4-hydroxy-3-({[(2S)-2-hydroxypropyl]amino}methoxy)phenyl]ethyl}-3-(2-hydroxyethyl)oxan-2-yl]-3-methoxyphenoxymethyl}-6-methylpiperidin-1-ium-3-yl]methyl}pyridin-1-i
AlkaPlorer ID: AK414402
Synonym: None
IUPAC Name: None
Structure
SMILES: COC1=CC(C2OC(CCC3=CC(OCNCC(C)O)=C(O)C=C3)CC(O)C2CCO)=CC(OCC2[NH2+]C(C)CCC2(CC(=O)[O-])CC2=CC(N)=[NH+]C=C2)=C1O
InChI: InChI=1S/C41H58N4O11/c1-24-8-11-41(20-38(50)51,19-27-9-12-44-37(42)15-27)36(45-24)22-54-35-17-28(16-34(53-3)39(35)52)40-30(10-13-46)32(49)18-29(56-40)6-4-26-5-7-31(48)33(14-26)55-23-43-21-25(2)47/h5,7,9,12,14-17,24-25,29-30,32,36,40,43,45-49,52H,4,6,8,10-11,13,18-23H2,1-3H3,(H2,42,44)(H,50,51)/p+1
InChIKey: IQWKWCRYSIEYSY-UHFFFAOYSA-O
Reference
COCONUT: CNP0006669.1
Source
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Properties Information
Molecule Weight: 783.9399999999997
TPSA？: 247.00000000000003
MolLogP？: 0.4939000000000071
Number of H-Donors: 8
Number of H-Acceptors: 13
RingCount: 5
Activities Information
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