Betanidin; 6-O-[4-Hydroxycinnamoyl-(→6)-β-D-glucopyranosyl-(1→2)-[3,4-dihydroxycinnamoyl-(→6)]-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside]
AlkaPlorer ID: AK290588
Synonym: None
IUPAC Name: None
Structure
SMILES: O=C(C=CC1=CC=C(O)C=C1)OCC1OC(OC2C(OC3C(OC4C(OC5=CC6=C(C=C5O)CC(C(=O)[O-])[N+]6=CC=C5C=C(C(=O)O)NC(C(=O)O)C5)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(COC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C2O)C(O)C(O)C1O
InChI: InChI=1S/C60H68N2O33/c63-19-36-42(71)47(76)51(58(89-36)88-35-18-30-26(17-34(35)68)16-31(56(84)85)62(30)12-11-25-13-28(54(80)81)61-29(14-25)55(82)83)94-59-53(48(77)43(72)37(20-64)90-59)95-60-52(49(78)45(74)39(92-60)22-87-41(70)10-5-24-3-8-32(66)33(67)15-24)93-57-50(79)46(75)44(73)38(91-57)21-86-40(69)9-4-23-1-6-27(65)7-2-23/h1-13,15,17-18,29,31,36-39,42-53,57-60,63-64,71-79H,14,16,19-22H2,(H7,65,66,67,68,69,70,80,81,82,83,84,85)
InChIKey: QXLGXMONVVQRRZ-UHFFFAOYSA-N
Reference
CAS: 160094-30-4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bougainvillea glabra | Bougainvillea | Nyctaginaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1345.1850000000009
TPSA？: 559.6600000000002
MolLogP？: -6.580299999999996
Number of H-Donors: 18
Number of H-Acceptors: 32
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|