Betanidin; 6-O-[β-D-Glucopyranosyl-(1→2)-β-D-glucopyranoside]
AlkaPlorer ID: AK290584
Synonym: Bougainvillein-v, Betanidin 6-sophoroside
IUPAC Name: None
Structure
SMILES: O=C(O)C1=CC(=CC=[N+]2C3=CC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)=C([O-])C=C3CC2C(=O)O)CC(C(=O)O)N1
InChI: InChI=1S/C30H36N2O18/c33-8-18-20(36)22(38)24(40)29(48-18)50-25-23(39)21(37)19(9-34)49-30(25)47-17-7-14-11(6-16(17)35)5-15(28(45)46)32(14)2-1-10-3-12(26(41)42)31-13(4-10)27(43)44/h1-3,6-7,13,15,18-25,29-30,33-34,36-40H,4-5,8-9H2,(H4,35,41,42,43,44,45,46)
InChIKey: VGEGGEZJERYWIN-UHFFFAOYSA-N
Reference
CAS: 32100-96-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bougainvillea glabra | Bougainvillea | Nyctaginaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 712.614
TPSA？: 328.53
MolLogP？: -5.171399999999988
Number of H-Donors: 11
Number of H-Acceptors: 16
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|