4-[(E)-{amino[(3-hydroxypropyl)amino]methylidene}amino]-5-[(E)-2-[(2S,3R,4S)-5-[(cyclohexyloxy)carbonyl]-3-ethenyl-2-{[(2S,3S,5R,6R)-4,4,5-trihydroxy-6-(hydroxymethyl)-3-[(methylammonio)methoxy]oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]ethenyl]-1-(2-hydrox
AlkaPlorer ID: AK545994
Synonym: None
IUPAC Name: None
Structure
SMILES: C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OCNC)OC=C(C(=O)OC2CCCCC2)C1C=CC1=C[N+](CCO)=CC(C(=O)O)=C1N=C(N)NCCCO
InChI: InChI=1S/C36H53N5O14/c1-3-23-24(11-10-21-16-41(13-15-43)17-25(31(46)47)28(21)40-35(37)39-12-7-14-42)26(32(48)53-22-8-5-4-6-9-22)19-51-33(23)55-34-30(52-20-38-2)36(49,50)29(45)27(18-44)54-34/h3,10-11,16-17,19,22-24,27,29-30,33-34,38,42-45,49-50H,1,4-9,12-15,18,20H2,2H3,(H3,37,39,46,47)/p+1
InChIKey: VEXFVFBANAWJOQ-UHFFFAOYSA-O
Source
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Properties Information
Molecule Weight: 780.849
TPSA？: 288.22
MolLogP？: -1.5317999999999898
Number of H-Donors: 10
Number of H-Acceptors: 15
RingCount: 4
Activities Information
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