Betanidin; 6-O-[4-Hydroxycinnamoyl-(→6)-β-D-glucopyranosyl-(→2)-[4-hydroxycinnamoyl-(→6)]-β-D-glucopyranoside]
AlkaPlorer ID: AK290589
Synonym: None
IUPAC Name: None
Structure
SMILES: O=C(C=CC1=CC=C(O)C=C1)OCC1OC(OC2C(OC3=CC4=C(C=C3O)CC(C(=O)[O-])[N+]4=CC=C3C=C(C(=O)O)NC(C(=O)O)C3)OC(COC(=O)C=CC3=CC=C(O)C=C3)C(O)C2O)C(O)C(O)C1O
InChI: InChI=1S/C48H48N2O22/c51-26-7-1-22(2-8-26)5-11-36(54)67-20-34-38(56)40(58)42(60)47(70-34)72-43-41(59)39(57)35(21-68-37(55)12-6-23-3-9-27(52)10-4-23)71-48(43)69-33-19-30-25(18-32(33)53)17-31(46(65)66)50(30)14-13-24-15-28(44(61)62)49-29(16-24)45(63)64/h1-15,18-19,29,31,34-35,38-43,47-48,56-60H,16-17,20-21H2,(H6,51,52,53,54,55,61,62,63,64,65,66)
InChIKey: POKSULLSSINAAC-UHFFFAOYSA-N
Reference
CAS: 160094-33-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bougainvillea glabra | Bougainvillea | Nyctaginaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1004.9040000000008
TPSA？: 381.13000000000005
MolLogP？: -1.9342999999999937
Number of H-Donors: 11
Number of H-Acceptors: 21
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|