methyl 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-phenylpropanoate
AlkaPlorer ID: AK257511
Synonym: None
IUPAC Name: methyl (2S)-2-[(3S,4R,4aS)-4-ethenyl-8-oxo-3-[(2S,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-phenylpropanoate
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)OC)CC[C@H]21
InChI: InChI=1S/C26H33NO10/c1-3-15-16-9-10-27(18(24(33)34-2)11-14-7-5-4-6-8-14)23(32)17(16)13-35-25(15)37-26-22(31)21(30)20(29)19(12-28)36-26/h3-8,13,15-16,18-22,25-26,28-31H,1,9-12H2,2H3/t15-,16+,18+,19-,20-,21+,22-,25+,26+/m1/s1
InChIKey: YPGCOIVTFNMDTA-DBXUSRIBSA-N
Source
Properties Information
Molecule Weight: 519.5470000000004
TPSA？: 155.22
MolLogP？: -0.521899999999998
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 4
Activities Information
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