(2S)-2-({2-[(2S,3R,4S)-3-ethenyl-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]ethyl}ammonio)-3-phenylpropanoate
AlkaPlorer ID: AK040205
Synonym: None
IUPAC Name: (2S)-2-[2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]ethylamino]-3-phenylpropanoic acid
Structure
SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CCN[C@@H](CC1=CC=CC=C1)C(=O)O
InChI: InChI=1S/C26H35NO11/c1-3-15-16(9-10-27-18(23(32)33)11-14-7-5-4-6-8-14)17(24(34)35-2)13-36-25(15)38-26-22(31)21(30)20(29)19(12-28)37-26/h3-8,13,15-16,18-22,25-31H,1,9-12H2,2H3,(H,32,33)/t15-,16+,18+,19-,20-,21+,22-,25+,26+/m1/s1
InChIKey: IEDHINQMIRRVDA-DBXUSRIBSA-N
Source
Properties Information
Molecule Weight: 537.5620000000004
TPSA？: 184.24
MolLogP？: -0.6898999999999971
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 3
Activities Information
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