2-(4-ethenyl-8-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H,4H,4aH,5H,6H,7H,8H-pyrano[3,4-c]pyridin-7-yl)-3-phenylpropanoic acid
AlkaPlorer ID: AK074314
Synonym: None
IUPAC Name: (2S)-2-[(3S,4R,4aS)-4-ethenyl-8-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyridin-7-yl]-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=C2C(=O)N([C@@H](CC3=CC=CC=C3)C(=O)O)CC[C@H]21
InChI: InChI=1S/C25H31NO10/c1-2-14-15-8-9-26(17(23(32)33)10-13-6-4-3-5-7-13)22(31)16(15)12-34-24(14)36-25-21(30)20(29)19(28)18(11-27)35-25/h2-7,12,14-15,17-21,24-25,27-30H,1,8-11H2,(H,32,33)/t14-,15+,17+,18-,19-,20+,21-,24+,25-/m1/s1
InChIKey: KUYOOBCAZIUXQE-UESMOWKJSA-N
Source
Properties Information
Molecule Weight: 505.5200000000003
TPSA？: 166.22
MolLogP？: -0.6102999999999981
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 4
Activities Information
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