Ipalbidine; (±)-form, O-[4-Hydroxy-Z-cinnamoyl-(→6)-β-D-glucopyranoside]
AlkaPlorer ID: AK302637
Synonym: Isoipomine
IUPAC Name: [3,4,5-trihydroxy-6-[4-(7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl)phenoxy]oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
Structure
SMILES: CC1=C(C2=CC=C(OC3OC(COC(=O)C=CC4=CC=C(O)C=C4)C(O)C(O)C3O)C=C2)CN2CCCC2C1
InChI: InChI=1S/C30H35NO8/c1-18-15-21-3-2-14-31(21)16-24(18)20-7-11-23(12-8-20)38-30-29(36)28(35)27(34)25(39-30)17-37-26(33)13-6-19-4-9-22(32)10-5-19/h4-13,21,25,27-30,32,34-36H,2-3,14-17H2,1H3
InChIKey: FBTXNMRYXWHMAF-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 537.6090000000002
TPSA？: 128.92000000000002
MolLogP？: 2.4768
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 5
Activities Information
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