Betanidin; 5-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(→6)-β-D-glucopyranoside]
AlkaPlorer ID: AK290592
Synonym: Lampranthin II, Monoferuloylbetanin
IUPAC Name: None
Structure
SMILES: COC1=CC(C=CC(=O)OCC2OC(OC3=CC4=C(C=C3O)[N+](=CC=C3C=C(C(=O)[O-])NC(C(=O)O)C3)C(C(=O)O)C4)C(O)C(O)C2O)=CC=C1O
InChI: InChI=1S/C34H34N2O16/c1-49-24-10-15(2-4-22(24)37)3-5-27(39)50-14-26-28(40)29(41)30(42)34(52-26)51-25-12-17-11-21(33(47)48)36(20(17)13-23(25)38)7-6-16-8-18(31(43)44)35-19(9-16)32(45)46/h2-8,10,12-13,19,21,26,28-30,34,40-42H,9,11,14H2,1H3,(H5,37,38,39,43,44,45,46,47,48)
InChIKey: BRMDRKOAVZEJCS-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 726.6440000000005
TPSA？: 284.91
MolLogP？: -1.719799999999996
Number of H-Donors: 8
Number of H-Acceptors: 15
RingCount: 5
Activities Information
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